2-((3-(4-hydroxyphenyl)propanoylamino)benzoic Acid
daca5216-27c6-447c-8a22-52a16f9e9a8c
Identity
- Substance
- fo-9f1f81f1298a62c1 NeutralMolecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Long-term
- CAS
- 697235-49-7
- EC
- 470-130-4
Context
- Dimension
- Environmental
- Media
- Air
- Strata
- Long-term
Alternative labels
5- 2-[[3-(4-Hydroxyphenyl)-1-oxopropyl]amino]benzoic acid
- Benzoic acid, 2-[[3-(4-hydroxyphenyl)-1-oxopropyl]amino]-
- Dihydroavenanthramide D
- Symcalmin
- hydroxyphenyl propamidobenzoic acid
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | daca5216-27c6-447c-8a22-52a16f9e9a8c | 2-((3-(4-hydroxyphenyl)propanoylamino)benzoic acid | 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 | daca5216-27c6-447c-8a22-52a16f9e9a8c | 2-((3-(4-hydroxyphenyl)propanoylamino)benzoic acid | Emissions/Emissions to air/Emissions to air, unspecified (long-term) | 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 | Ecotoxicity, freshwater | — | 0 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 0 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 0 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_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-[[3-(4-Hydroxyphenyl)-1-oxopropyl]amino]benzoic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:697235-49-7",
"https://commonchemistry.cas.org/detail?cas_rn=697235-49-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzoic acid, 2-[[3-(4-hydroxyphenyl)-1-oxopropyl]amino]-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:697235-49-7",
"https://commonchemistry.cas.org/detail?cas_rn=697235-49-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dihydroavenanthramide D",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:697235-49-7",
"https://commonchemistry.cas.org/detail?cas_rn=697235-49-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Symcalmin",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:697235-49-7",
"https://commonchemistry.cas.org/detail?cas_rn=697235-49-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "hydroxyphenyl propamidobenzoic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:697235-49-7",
"https://commonchemistry.cas.org/detail?cas_rn=697235-49-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C16H15NO4"
],
"attested_by": {
"C16H15NO4": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10334118"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(CCc1ccc(O)cc1)Nc1ccccc1C(=O)O"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"DLFOKZQWYFNKCL-UHFFFAOYSA-N"
],
"attested_by": {
"DLFOKZQWYFNKCL-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10334118"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(CCc1ccc(O)cc1)Nc1ccccc1C(=O)O"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=C(CCc1ccc(O)cc1)Nc1ccccc1C(=O)O"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-[[3-(4-Hydroxyphenyl)-1-oxopropyl]amino]benzoic acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(CCc1ccc(O)cc1)Nc1ccccc1C(=O)O"
]
}
],
"attested_by": {
"O=C(CCc1ccc(O)cc1)Nc1ccccc1C(=O)O": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C16H15NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-6,8-9,18H,7,10H2,(H,17,19)(H,20,21)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-[[3-(4-Hydroxyphenyl)-1-oxopropyl]amino]benzoic acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(CCc1ccc(O)cc1)Nc1ccccc1C(=O)O"
]
}
],
"attested_by": {
"InChI=1S/C16H15NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-6,8-9,18H,7,10H2,(H,17,19)(H,20,21)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2-[[3-(4-Hydroxyphenyl)-1-oxopropyl]amino]benzoic acid"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-[[3-(4-Hydroxyphenyl)-1-oxopropyl]amino]benzoic acid"
]
},
"attested_by": {
"2-[[3-(4-Hydroxyphenyl)-1-oxopropyl]amino]benzoic acid": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
285.299
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(CCc1ccc(O)cc1)Nc1ccccc1C(=O)O"
]
}
],
"attested_by": {
"285.299": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
285.100108
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(CCc1ccc(O)cc1)Nc1ccccc1C(=O)O"
]
}
],
"attested_by": {
"285.100108": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.530.302D",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10334118;CAS:697235-49-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[697235-49-7]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.218.393",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10334118;CAS:697235-49-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[697235-49-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=697235-49-7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10334118;CAS:697235-49-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[697235-49-7]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID80220022",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10334118;CAS:697235-49-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[697235-49-7]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/25KRT26H77",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10334118;CAS:697235-49-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[697235-49-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/10334118",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10334118;CAS:697235-49-7"
],
"prov:wasDerivedFrom": "pubchem.by_cas[697235-49-7]"
}
},
{
"@id": "https://rxnav.nlm.nih.gov/id/rxnorm/1427188",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10334118;CAS:697235-49-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[697235-49-7]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27253970",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10334118;CAS:697235-49-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[697235-49-7]"
}
}
],
"prefLabel": [
{
"@value": "2-((3-(4-hydroxyphenyl)propanoylamino)benzoic Acid",
"@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": [],
"uuid": "daca5216-27c6-447c-8a22-52a16f9e9a8c",
"identifier": "daca5216-27c6-447c-8a22-52a16f9e9a8c",
"source": "EF 3.1",
"cas_numbers": [
"697235-49-7"
],
"ec_numbers": [
"470-130-4"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Long-term"
},
"synonyms": [],
"lcia_methods": [
{
"method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
"name": "Ecotoxicity, freshwater",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 0.0
},
{
"method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
"name": "Ecotoxicity, freshwater_organics",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 0.0
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-lote",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-9f1f81f1298a62c1",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/daca5216-27c6-447c-8a22-52a16f9e9a8c",
"skos:prefLabel": "2-((3-(4-hydroxyphenyl)propanoylamino)benzoic acid",
"context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/daca5216-27c6-447c-8a22-52a16f9e9a8c"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/daca5216-27c6-447c-8a22-52a16f9e9a8c"
},
"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"
},
"cas_match_labels": {
"697235-49-7": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "2-((3-(4-hydroxyphenyl)propanoylamino)benzoic acid",
"synonyms": [
"2-((3-(4-hydroxyphenyl)propanoylamino)benzoic acid"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to air, unspecified (long-term)"
],
"cas_numbers": [
"697235-49-7"
],
"ec_numbers": [
"470-130-4"
],
"unit": "kg"
}
}