Flow object JSON
{
"flow_object_id": "fo-620cbf902ae7a0eb",
"prefLabel": [
{
"@value": "4-methyl-2-[(2-nitrophenyl)diazenyl]phenol",
"@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": "2-[(2-Nitrophenyl)azo]-p-cresol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1435-71-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1435-71-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Hydroxy-2′-nitro-5-methylazobenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1435-71-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1435-71-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Hydroxy-5-methyl-2′-nitroazobenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1435-71-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1435-71-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Nitro-2′-hydroxy-5′-methylazobenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1435-71-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1435-71-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2′-Hydroxy-5′-methyl-2-nitroazobenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1435-71-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1435-71-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2′-Nitro-6-hydroxy-3-methylazobenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1435-71-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1435-71-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Methyl-2-[(2-nitrophenyl)azo]phenol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1435-71-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1435-71-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Methyl-2-[2-(2-nitrophenyl)diazenyl]phenol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1435-71-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1435-71-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "p-Cresol, 2-[(o-nitrophenyl)azo]-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1435-71-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1435-71-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phenol, 4-methyl-2-[(2-nitrophenyl)azo]-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1435-71-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1435-71-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phenol, 4-methyl-2-[2-(2-nitrophenyl)diazenyl]-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1435-71-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1435-71-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C13H11N3O3"
],
"attested_by": {
"C13H11N3O3": [
"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:74029"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(O)c(N=Nc2ccccc2[N+](=O)[O-])c1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"DRPPFIRCBMBJCM-UHFFFAOYSA-N"
],
"attested_by": {
"DRPPFIRCBMBJCM-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:74029"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(O)c(N=Nc2ccccc2[N+](=O)[O-])c1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Cc1ccc(O)c(N=Nc2ccccc2[N+](=O)[O-])c1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4-methyl-2-[(2-nitrophenyl)diazenyl]phenol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(O)c(N=Nc2ccccc2[N+](=O)[O-])c1"
]
}
],
"attested_by": {
"Cc1ccc(O)c(N=Nc2ccccc2[N+](=O)[O-])c1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C13H11N3O3/c1-9-6-7-13(17)11(8-9)15-14-10-4-2-3-5-12(10)16(18)19/h2-8,17H,1H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4-methyl-2-[(2-nitrophenyl)diazenyl]phenol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(O)c(N=Nc2ccccc2[N+](=O)[O-])c1"
]
}
],
"attested_by": {
"InChI=1S/C13H11N3O3/c1-9-6-7-13(17)11(8-9)15-14-10-4-2-3-5-12(10)16(18)19/h2-8,17H,1H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"4-methyl-2-[(2-nitrophenyl)diazenyl]phenol"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4-methyl-2-[(2-nitrophenyl)diazenyl]phenol"
]
},
"attested_by": {
"4-methyl-2-[(2-nitrophenyl)diazenyl]phenol": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
257.249
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=CC(=C(C=C1)O)N=NC2=CC=CC=C2[N+](=O)[O-]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(O)c(N=Nc2ccccc2[N+](=O)[O-])c1"
]
}
],
"attested_by": {
"257.249": [
"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": [
257.080041
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=CC(=C(C=C1)O)N=NC2=CC=CC=C2[N+](=O)[O-]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1ccc(O)c(N=Nc2ccccc2[N+](=O)[O-])c1"
]
}
],
"attested_by": {
"257.080041": [
"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=J30.332A",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:74029;CAS:1435-71-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1435-71-8]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.014.421",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:74029;CAS:1435-71-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1435-71-8]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=1435-71-8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:74029;CAS:1435-71-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1435-71-8]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID6027399",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:74029;CAS:1435-71-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1435-71-8]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F2379XLC0U",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:74029;CAS:1435-71-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1435-71-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/74029",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:74029;CAS:1435-71-8"
],
"prov:wasDerivedFrom": "pubchem.by_cas[1435-71-8]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q126615417",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:74029;CAS:1435-71-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1435-71-8]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "039b4bc6-31a2-4912-b4c9-685ee44649bd",
"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": [
"1435-71-8"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=1435-71-8"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=1435-71-8"
}
],
"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": [
"215-863-0"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=215-863-0"
],
"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"
]
}
![Structure diagram for 4-methyl-2-[(2-nitrophenyl)diazenyl]phenol](/flow-objects/fo-620cbf902ae7a0eb/structure.svg)