Flow object JSON
{
"flow_object_id": "fo-96a91315c6effcea",
"prefLabel": [
{
"@value": "(1-methyl-1-phenylethyl)phenyl Diphenyl Phosphate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "Cumylphenyldiphenylphosphate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34364-42-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34364-42-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phosphoric acid, (1-methyl-1-phenylethyl)phenyl diphenyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34364-42-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34364-42-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phosphoric acid, (α,α-dimethylbenzyl)phenyl diphenyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34364-42-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34364-42-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "α,α-Dimethylbenzylphenyl diphenyl phosphate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34364-42-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34364-42-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C27H25O4P"
],
"attested_by": {
"C27H25O4P": [
"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:36800"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(c1ccccc1)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"KMLCDKUGVGTGBJ-UHFFFAOYSA-N",
"NSKVIUBXDJHCAL-UHFFFAOYSA-N"
],
"attested_by": {
"KMLCDKUGVGTGBJ-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic"
],
"NSKVIUBXDJHCAL-UHFFFAOYSA-N": [
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:36800"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(c1ccccc1)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(C)(c1ccccc1)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(1-methyl-1-phenylethyl)phenyl Diphenyl Phosphate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(c1ccccc1)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1"
]
}
],
"attested_by": {
"CC(C)(c1ccccc1)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C27H25O4P/c1-27(2,22-14-6-3-7-15-22)25-20-12-13-21-26(25)31-32(28,29-23-16-8-4-9-17-23)30-24-18-10-5-11-19-24/h3-21H,1-2H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(1-methyl-1-phenylethyl)phenyl Diphenyl Phosphate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(c1ccccc1)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1"
]
}
],
"attested_by": {
"InChI=1S/C27H25O4P/c1-27(2,22-14-6-3-7-15-22)25-20-12-13-21-26(25)31-32(28,29-23-16-8-4-9-17-23)30-24-18-10-5-11-19-24/h3-21H,1-2H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"(1-methyl-1-phenylethyl)phenyl Diphenyl Phosphate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(1-methyl-1-phenylethyl)phenyl Diphenyl Phosphate"
]
},
"attested_by": {
"(1-methyl-1-phenylethyl)phenyl Diphenyl Phosphate": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.047.226",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:36800;CAS:34364-42-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[34364-42-6]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=34364-42-6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"34364-42-6"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/36800",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:36800;CAS:34364-42-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[34364-42-6]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "07cbf167-1021-4246-b796-4773acf3d21a",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"34364-42-6"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=34364-42-6"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=34364-42-6"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"251-965-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=251-965-1"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}