Bithionol
77325997-6cf0-4cd6-b7b4-c8646cb7a53d
Identity
- Substance
- fo-7777bc26f90d472a NeutralMolecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Ocean
- CAS
- 97-18-7
- EC
- 202-565-0
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Ocean
Alternative labels
27- 2,2'-Dihydroxy-3,3',5,5'-tetrachlorodiphenyl sulfide
- 2,2'-Thiobis(4,6-dichlorophenol)
- 2,2'-sulfanediylbis(4,6-dichlorophenol)
- 2-Hydroxy-3,5-dichlorophenyl sulfide
- Bis(3,5-dichloro-2-hydroxyphenyl) sulfide
- Bithin
- Bithionol sulfide
- 2,2-Thiobis(4,6-dichlorophenol)
- 2,2′-Dihydroxy-3,3′,5,5′-tetrachlorodiphenyl sulfide
- 2,2′-Thiobis[4,6-dichlorophenol]
- 2,4-Dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol
- 2,4-Dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)sulfanyl]phenol
- 2-Hydroxy-3,5-dichlorophenyl sulphide
- Actamer
- Bidiphen
- Bis(2-hydroxy-3,5-dichlorophenyl) sulfide
- Bisoxyphen
- Bitin
- Bitionol
- Lorothidol
- Lorothiodol
- MeSH ID: D001735
- Neopellis
- Nobacter
- Phenol, 2,2′-thiobis[4,6-dichloro-
- TKhSD
- Vancide BL
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 77325997-6cf0-4cd6-b7b4-c8646cb7a53d | bithionol | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | 77325997-6cf0-4cd6-b7b4-c8646cb7a53d | bithionol | Emissions/Emissions to water/Emissions to sea water | exactMatch | — |
Characterisation factors
4- consensus-flow-list 2 (0 non-zero)
- European Commission — JRC 2 (0 non-zero)
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | European Commission — JRC | Human toxicity, cancer | — | 0 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, cancer | — | 0 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, cancer_organics | — | 0 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, cancer_organics | — | 0 | sole |
History
The change log and the PROV-O trail (2 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
{
"altLabel": [
{
"@value": "2,2'-Dihydroxy-3,3',5,5'-tetrachlorodiphenyl sulfide",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "2,2'-Thiobis(4,6-dichlorophenol)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "2,2'-sulfanediylbis(4,6-dichlorophenol)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "2-Hydroxy-3,5-dichlorophenyl sulfide",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Bis(3,5-dichloro-2-hydroxyphenyl) sulfide",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Bithin",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Bithionol sulfide",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131",
"EF 3.1"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "2,2-Thiobis(4,6-dichlorophenol)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2′-Dihydroxy-3,3′,5,5′-tetrachlorodiphenyl sulfide",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2′-Thiobis[4,6-dichlorophenol]",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,4-Dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,4-Dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)sulfanyl]phenol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Hydroxy-3,5-dichlorophenyl sulphide",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Actamer",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bidiphen",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bis(2-hydroxy-3,5-dichlorophenyl) sulfide",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bisoxyphen",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bitin",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bitionol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Lorothidol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Lorothiodol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "MeSH ID: D001735",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Neopellis",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Nobacter",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phenol, 2,2′-thiobis[4,6-dichloro-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "TKhSD",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Vancide BL",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97-18-7",
"https://commonchemistry.cas.org/detail?cas_rn=97-18-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C12H6Cl4O2S"
],
"attested_by": {
"C12H6Cl4O2S": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,2'-Thiobis(4,6-dichlorophenol)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O"
]
}
],
"attested_by": {
"Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,2'-Thiobis(4,6-dichlorophenol)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O"
]
}
],
"attested_by": {
"InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"JFIOVJDNOJYLKP-UHFFFAOYSA-N"
],
"attested_by": {
"JFIOVJDNOJYLKP-UHFFFAOYSA-N": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O"
]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"@value": [
356.057
],
"attested_by": {
"356.057": [
"enrich_references.chebi_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.mass"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O"
]
}
]
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"@value": [
353.88426,
353.884261
],
"attested_by": {
"353.88426": [
"enrich_references.chebi_semantic"
],
"353.884261": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"rdfs:label": "Monoisotopic mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
},
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=C(C=C(C(=C1SC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O"
]
}
]
},
"https://w3id.org/chemrof/elemental_charge": {
"@id": "https://w3id.org/chemrof/elemental_charge",
"@value": [
0
],
"attested_by": {
"0": [
"enrich_references.chebi_semantic"
]
},
"rdfs:label": "Elemental charge",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.charge"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2,2'-Thiobis(4,6-dichlorophenol)"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,2'-Thiobis(4,6-dichlorophenol)"
]
},
"attested_by": {
"2,2'-Thiobis(4,6-dichlorophenol)": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "beilstein:2003535",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "drugcentral:3032",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.438E",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-18-7]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.002.333",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-18-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=97-18-7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID9021342",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-18-7]"
}
},
{
"@id": "https://drugcentral.org/drugcard/3032",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-18-7]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=47129",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-18-7]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9872",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-18-7]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/Bithionol",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://go.drugbank.com/drugs/DB04813",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AMT77LS62O",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-18-7]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0249278",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-18-7]"
}
},
{
"@id": "https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77030",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-18-7]"
}
},
{
"@id": "https://platform.opentargets.org/drug/CHEMBL290106",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-18-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/2406",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.by_cas[97-18-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2811",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-18-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=007945",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-18-7]"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/17129675",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/24495391",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.drugbank.ca/drugs/DB04813",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-18-7]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3131",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_id_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.id"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL290106",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-18-7]"
}
},
{
"@id": "https://www.genome.jp/entry/C07967",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.genome.jp/entry/D00802",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.kegg.jp/entry/C07967",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-18-7]"
}
},
{
"@id": "https://www.kegg.jp/entry/D00802",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-18-7]"
}
},
{
"@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53014",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-18-7]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q4918862",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2406;CAS:97-18-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-18-7]"
}
},
{
"@id": "lincs.smallmolecule:LSM-2862",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "pdb-ccd:B1T",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "pesticides:bithionol",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "ppdb:2889",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "vsdb:2889",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
}
],
"prefLabel": [
{
"@value": "Bithionol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "An aryl sulfide that is diphenyl sulfide in which each phenyl group is substituted at position 2 by hydroxy and at positions 3 and 5 by chlorine. A fungicide and anthelmintic, it was used in various topical drug products for the treatment of liver flukes, but withdrawn after being shown to be a potent photosensitizer with the potential to cause serious skin disorders.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3131"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"http://purl.obolibrary.org/obo/RO_0000087": [
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_33286",
"rdfs:label": "agrochemical",
"http://www.w3.org/2004/02/skos/core#definition": "An agrochemical is a substance that is used in agriculture or horticulture.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_24127",
"rdfs:label": "fungicide",
"http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy fungal pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
"rdfs:label": "pesticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
}
],
"uuid": "77325997-6cf0-4cd6-b7b4-c8646cb7a53d",
"identifier": "77325997-6cf0-4cd6-b7b4-c8646cb7a53d",
"source": "EF 3.1",
"cas_numbers": [
"97-18-7"
],
"ec_numbers": [
"202-565-0"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Ocean"
},
"synonyms": [],
"lcia_methods": [
{
"method_uuid": "2299222a-bbd8-474f-9d4f-4dd1f18aea7c",
"name": "Human toxicity, cancer",
"methodology": "Environmental Footprint",
"impact_category": "Cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
"characterization_factor": 0.0
},
{
"method_uuid": "503699e0-eca9-4089-8bf8-e0f49c93e578",
"name": "Human toxicity, cancer_organics",
"methodology": "Environmental Footprint",
"impact_category": "Cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
"characterization_factor": 0.0
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-ocea",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-7777bc26f90d472a",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/77325997-6cf0-4cd6-b7b4-c8646cb7a53d",
"skos:prefLabel": "bithionol",
"context": "Emissions/Emissions to water/Emissions to sea water",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/77325997-6cf0-4cd6-b7b4-c8646cb7a53d"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/77325997-6cf0-4cd6-b7b4-c8646cb7a53d"
},
"provenance": {
"prov:wasGeneratedBy": "build_concept_associations",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
]
}
}
],
"_sources": {
"prefLabel": "normalize_name_case",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "normalise_property_values",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "strip_catalogue_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance",
"roles": "link_flows_to_their_substance"
},
"cas_match_labels": {
"97-18-7": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "bithionol",
"synonyms": [
"organic",
"bithionol"
],
"context": [
"Emissions",
"Emissions to water",
"Emissions to sea water"
],
"cas_numbers": [
"97-18-7"
],
"ec_numbers": [
"202-565-0"
],
"unit": "kg"
}
}