No PROV-O consensus activities found for this flow.
{
"uuid": "c45e07ae-918d-4599-9a8f-da89a22ce310",
"name": null,
"cas_numbers": [
"131513-00-3"
],
"ec_numbers": [
"603-491-5"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Unknown"
},
"general_comment": null,
"synonyms": [],
"unit": "kg",
"lcia_methods": [],
"source": "EF 3.1",
"identifier": "c45e07ae-918d-4599-9a8f-da89a22ce310",
"input_datasets": [
"EF 3.1"
],
"source_refs": [
{
"list_name": "EF",
"list_version": "3.1",
"source_flow_uuid": "c45e07ae-918d-4599-9a8f-da89a22ce310",
"source_flow_name": "acrylic acid 4-[[(4-benzoylphenoxy)carbonyl]oxy]butyl ester/n",
"source_metadata": {
"input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
"input_dataset": "EF 3.1",
"original_context": [
"Emissions",
"Emissions to water",
"Emissions to water, unspecified (long-term)"
]
}
}
],
"prefLabel": [
{
"@value": "2-Propenoic acid, 4-(((4-benzoylphenoxy)carbonyl)oxy)butyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "pubchem_readable_name",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:131513-00-3",
"CID:14746151"
],
"prov:wasDerivedFrom": "pubchem record title"
}
}
],
"_sources": {
"prefLabel": "pubchem_readable_name",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "rdkit_post_consensus",
"skos:definition": "enrich_references",
"references": "enrich_references",
"altLabel": "pubchem_readable_name",
"cas_match_labels": "consensus_match"
},
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C21H20O6"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:14746151"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCCCCOC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"XEJDJFHDOJHPJB-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:14746151"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCCCCOC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C=CC(=O)OCCCCOC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2",
"C=CC(=O)OCCCCOC(=O)Oc1ccc(C(=O)c2ccccc2)cc1"
],
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:14746151"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCCCCOC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCCCCOC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C21H20O6/c1-2-19(22)25-14-6-7-15-26-21(24)27-18-12-10-17(11-13-18)20(23)16-8-4-3-5-9-16/h2-5,8-13H,1,6-7,14-15H2"
],
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:14746151"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCCCCOC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"2-propenoic acid 4-[(4-benzoylphenoxy)-oxomethoxy]butyl ester",
"4-(4-benzoylphenoxy)carbonyloxybutyl prop-2-enoate",
"4-[4-(phenylcarbonyl)phenoxy]carbonyloxybutyl prop-2-enoate",
"acrylic acid 4-(4-benzoylphenoxy)carbonyloxybutyl ester"
],
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:14746151"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
"368.385"
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCCCCOC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCCCCOC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2"
]
}
],
"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": [
"368.125988"
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCCCCOC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OCCCCOC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2"
]
}
],
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"skos:definition": [],
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=131513-00-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:14746151;CAS:131513-00-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[131513-00-3]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID7075183",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:14746151;CAS:131513-00-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[131513-00-3]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/P9NY190TSE",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:14746151;CAS:131513-00-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[131513-00-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/14746151",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:14746151;CAS:131513-00-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[131513-00-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27286420",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:14746151;CAS:131513-00-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[131513-00-3]"
}
}
],
"altLabel": [
{
"@value": "2-Propenoic acid, 4-[[(4-benzoylphenoxy)carbonyl]oxy]butyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:131513-00-3",
"https://commonchemistry.cas.org/detail?cas_rn=131513-00-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-(((4-Benzoylphenoxy)carbonyl)oxy)butyl acrylate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:131513-00-3",
"https://commonchemistry.cas.org/detail?cas_rn=131513-00-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Acryloxylbutyl 4-benzoylphenyl carbonate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:131513-00-3",
"https://commonchemistry.cas.org/detail?cas_rn=131513-00-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-[[(4-Benzoylphenoxy)carbonyl]oxy]butyl 2-propenoate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:131513-00-3",
"https://commonchemistry.cas.org/detail?cas_rn=131513-00-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acrylic Acid 4-[[(4-benzoylphenoxy)carbonyl]oxy]butyl Ester/n",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "pubchem_readable_name",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"c45e07ae-918d-4599-9a8f-da89a22ce310"
],
"prov:wasDerivedFrom": "previous prefLabel"
}
}
],
"cas_match_labels": {
"131513-00-3": "exactMatch"
},
"http://www.w3.org/2002/07/owl#deprecated": true,
"http://purl.org/dc/terms/isReplacedBy": "urn:uuid:ae404bc6-aac4-480c-9aea-dc231e6fe432",
"is_replaced_by_uuid": "ae404bc6-aac4-480c-9aea-dc231e6fe432",
"flow_object_id": "fo-93d78517f0ca9d8c"
}