Heptachlor Epoxide
80d35a91d31741dba719e68ba414c859cc63479e
Identity
- Substance
- fo-b6201c4c3b74dd0e Neutral molecule
- Source
- stepwise algorithm addition
- Unit
- kg
- Context
- Environmental → Water → Unconfined aquifer
- CAS
- 1024-57-3
- EC
- 213-831-0
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Unconfined aquifer
Alternative labels
16- (±)-cis-Heptachlor epoxide
- 2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-
- 2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aα,1bβ,2α,5α,5aβ,6β,6aα)-
- 4,7-Methanoindan, 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-
- cis-Heptachlor epoxide
- Epoxyheptachlor
- GPKh epoxide
- HCE
- Hepox
- Heptachlor cis-epoxide
- Heptachlor epoxide B
- Heptachlor exo-epoxide
- Heptepoxide
- MeSH ID: D006534
- rel-(1aR,1bS,2R,5S,5aR,6S,6aR)-2,3,4,5,6,7,7-Heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno[1,2-b]oxirene
- Velsicol 53CS17
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| stepwise | 2006-1.09 | 4b54f5db-22cc-51e6-ac80-ecad99ff7c4c | Heptachlor epoxide | The CAS numbers are the same (1024-57-3); no flow of this substance sat in that compartment, so this one was created for the row. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| stepwise 2006-1.09 | 4b54f5db-22cc-51e6-ac80-ecad99ff7c4c | Heptachlor Epoxide | Water / groundwater | exactMatch | — |
Characterisation factors
8- brightway-flows 4
- 2.-0 LCA consultants 4
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 |
|---|---|---|---|---|---|
| Stepwise 2006 | 2.-0 LCA consultants | Ecotoxicity, aquatic | — | 13,117.73412 | — |
| Stepwise 2006 | brightway-flows | Ecotoxicity, aquatic | — | 13,117.73412 | sole |
| Stepwise 2006 | 2.-0 LCA consultants | Ecotoxicity, terrestrial | — | 0.011687 | — |
| Stepwise 2006 | brightway-flows | Ecotoxicity, terrestrial | — | 0.011687 | sole |
| Stepwise 2006 | 2.-0 LCA consultants | Human toxicity, carcinogens | — | 0.853434 | — |
| Stepwise 2006 | brightway-flows | Human toxicity, carcinogens | — | 0.853434 | sole |
| Stepwise 2006 | 2.-0 LCA consultants | Human toxicity, non-carc. | — | 0.790396 | — |
| Stepwise 2006 | brightway-flows | Human toxicity, non-carc. | — | 0.790396 | sole |
History
The change log and the PROV-O trail (0 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": "(±)-cis-Heptachlor epoxide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:1024-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1024-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:1024-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1024-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aα,1bβ,2α,5α,5aβ,6β,6aα)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:1024-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1024-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,7-Methanoindan, 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:1024-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1024-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "cis-Heptachlor epoxide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:1024-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1024-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Epoxyheptachlor",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:1024-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1024-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "GPKh epoxide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:1024-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1024-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "HCE",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:1024-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1024-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hepox",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:1024-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1024-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Heptachlor cis-epoxide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:1024-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1024-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Heptachlor epoxide B",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:1024-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1024-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Heptachlor exo-epoxide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:1024-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1024-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Heptepoxide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:1024-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1024-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "MeSH ID: D006534",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:1024-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1024-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "rel-(1aR,1bS,2R,5S,5aR,6S,6aR)-2,3,4,5,6,7,7-Heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno[1,2-b]oxirene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:1024-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1024-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Velsicol 53CS17",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:1024-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1024-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C10H5Cl7O"
],
"attested_by": {
"C10H5Cl7O": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_34786"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:13930"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H]4O[C@H]4[C@@H](Cl)[C@@H]3[C@@]1(Cl)C2(Cl)Cl"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H]4O[C@H]4[C@@H](Cl)[C@@H]3[C@@]1(Cl)C2(Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H]4O[C@H]4[C@@H](Cl)[C@@H]3[C@@]1(Cl)C2(Cl)Cl"
],
"prov:wasDerivedFrom": "smiles_string.stereochemistry_removed"
}
],
"attested_by": {
"ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H]4O[C@H]4[C@@H](Cl)[C@@H]3[C@@]1(Cl)C2(Cl)Cl": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4-,5+,8+,9-/m1/s1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H]4O[C@H]4[C@@H](Cl)[C@@H]3[C@@]1(Cl)C2(Cl)Cl"
]
}
],
"attested_by": {
"InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4-,5+,8+,9-/m1/s1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ZXFXBSWRVIQKOD-CFKMXOCQSA-N"
],
"attested_by": {
"ZXFXBSWRVIQKOD-UHFFFAOYSA-N": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic"
],
"ZXFXBSWRVIQKOD-CFKMXOCQSA-N": [
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_34786"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:13930"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H]4O[C@H]4[C@@H](Cl)[C@@H]3[C@@]1(Cl)C2(Cl)Cl"
]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"@value": [
389.32
],
"attested_by": {
"389.32": [
"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": "brightway-flows",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_34786"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.mass"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H]4O[C@H]4[C@@H](Cl)[C@@H]3[C@@]1(Cl)C2(Cl)Cl"
]
}
]
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"@value": [
385.816009,
385.81601
],
"attested_by": {
"385.81601": [
"enrich_references.chebi_semantic"
],
"385.816009": [
"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": "brightway-flows",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_34786"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
},
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C12C(C(C3C1O3)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H]4O[C@H]4[C@@H](Cl)[C@@H]3[C@@]1(Cl)C2(Cl)Cl"
]
}
]
},
"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": "brightway-flows",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_34786"
],
"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": [
"2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-"
]
},
"attested_by": {
"2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/isomeric_smiles_string": {
"rdfs:label": "isomeric smiles string",
"@value": [
"ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H]4O[C@H]4[C@@H](Cl)[C@@H]3[C@@]1(Cl)C2(Cl)Cl"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H]4O[C@H]4[C@@H](Cl)[C@@H]3[C@@]1(Cl)C2(Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "brightway-flows",
"prov:wasDerivedFrom": "smiles_string"
}
]
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J524.168E",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:13930;CAS:1024-57-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1024-57-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=1024-57-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_34786"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0244297",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:13930;CAS:1024-57-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1024-57-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/13930",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:13930;CAS:1024-57-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[1024-57-3]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34786",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_id_link",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_34786"
],
"prov:wasDerivedFrom": "chebi.id"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1903207",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:13930;CAS:1024-57-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1024-57-3]"
}
},
{
"@id": "https://www.genome.jp/entry/C14327",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_34786"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27116272",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:13930;CAS:1024-57-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1024-57-3]"
}
}
],
"prefLabel": [
{
"@value": "Heptachlor Epoxide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "brightway-flows",
"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": [],
"uuid": "80d35a91d31741dba719e68ba414c859cc63479e",
"identifier": "",
"name": "Heptachlor Epoxide",
"source": "stepwise algorithm addition",
"cas_numbers": [
"1024-57-3"
],
"ec_numbers": [
"213-831-0"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Unconfined aquifer"
},
"synonyms": [],
"lcia_methods": [],
"unit": "kg",
"input_datasets": [],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unaq",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-b6201c4c3b74dd0e",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/stepwise/2006-1.09/flow/4b54f5db-22cc-51e6-ac80-ecad99ff7c4c",
"skos:prefLabel": "Heptachlor Epoxide",
"context": "Water / groundwater",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/80d35a91d31741dba719e68ba414c859cc63479e"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/80d35a91d31741dba719e68ba414c859cc63479e"
},
"provenance": {
"prov:wasGeneratedBy": "merge_stepwise",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"stepwise:2006-1.09:4b54f5db-22cc-51e6-ac80-ecad99ff7c4c",
"Heptachlor Epoxide",
"",
"algorithm.lookup_order=cas>ec>label",
"algorithm.basis=cas:1024-57-3",
"algorithm.flow_object_candidates=1",
"algorithm.elementary_candidates=13",
"algorithm.selector_reason=new-elementary-flow-created",
"algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto",
"algorithm.winning_score=3",
"algorithm.tie_on_top_score=true"
],
"prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:1024-57-3);flow_object_candidates(1);elementary_candidates(13);selector(new-elementary-flow-created);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
}
}
],
"_sources": {},
"cas_match_labels": {},
"general_comment": "",
"_transformed": false,
"_provided": {
"name": null,
"synonyms": [],
"context": [],
"cas_numbers": [],
"ec_numbers": [],
"unit": null
},
"elementary_flow_id": "80d35a91d31741dba719e68ba414c859cc63479e"
}
Something wrong here?
A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.
- A row from my list should not reach this flow
- This flow is not that chemical
- The compartment or the unit is wrong
- One of these characterisation factors cannot be this substance's
You do not need to run a build or clone anything. Name the row and say what your evidence is; the measurement is done for you. How contributing works