Flow object JSON
{
"flow_object_id": "fo-d4cc97e8bf17440b",
"prefLabel": [
{
"@value": "Sodium Bis[2-chloro-4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1h-pyrazol-4-yl)azo]-5-hydroxybenzenesulphonamidato(2-)]chromate(1-)",
"@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": "Acid Red 211",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:67109-27-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=67109-27-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzenesulfonamide, 2-chloro-4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-5-hydroxy-, chromium complex",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:67109-27-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=67109-27-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "C.I. Acid Red 211",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:67109-27-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=67109-27-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Chromate(1-), bis[2-chloro-4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-5-hydroxybenzenesulfonamidato(2-)]-, sodium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:67109-27-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=67109-27-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Chromate(1-), bis[2-chloro-4-[2-[4,5-dihydro-3-methyl-5-(oxo-κO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-κN1]-5-(hydroxy-κO)benzenesulfonamidato(2-)]-, sodium (1:1)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:67109-27-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=67109-27-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Chromate(1-), bis[2-chloro-4-[[4,5-dihydro-3-methyl-5-(oxo-κO)-1-phenyl-1H-pyrazol-4-yl]azo-κN1]-5-(hydroxy-κO)benzenesulfonamidato(2-)]-, sodium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:67109-27-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=67109-27-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cibalan Red 2RL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:67109-27-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=67109-27-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Irgalan Red 2GL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:67109-27-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=67109-27-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Irgalan Red 2GL-KWL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:67109-27-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=67109-27-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Irgalan Red 2GL-KWL 200",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:67109-27-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=67109-27-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Lanyl Red GG",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:67109-27-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=67109-27-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Relon Red 2G",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:67109-27-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=67109-27-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Taigalan Red 2G",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:67109-27-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=67109-27-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C32H24Cl2CrN10NaO8S2"
],
"attested_by": {
"C32H24Cl2CrN10NaO8S2": [
"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:163134"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.[Na+].[Cr+3]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"MTEWSKPSJGGDQE-UHFFFAOYSA-J"
],
"attested_by": {
"MTEWSKPSJGGDQE-UHFFFAOYSA-J": [
"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:163134"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.[Na+].[Cr+3]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.[Na+].[Cr+3]"
],
"attested_by": {
"CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.[Na+].[Cr+3]": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:163134"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.[Na+].[Cr+3]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/2C16H14ClN5O4S.Cr.Na/c2*1-9-15(16(24)22(21-9)10-5-3-2-4-6-10)20-19-12-7-11(17)14(8-13(12)23)27(18,25)26;;/h2*2-8,23-24H,1H3,(H2,18,25,26);;/q;;+3;+1/p-4"
],
"attested_by": {
"InChI=1S/2C16H14ClN5O4S.Cr.Na/c2*1-9-15(16(24)22(21-9)10-5-3-2-4-6-10)20-19-12-7-11(17)14(8-13(12)23)27(18,25)26;;/h2*2-8,23-24H,1H3,(H2,18,25,26);;/q;;+3;+1/p-4": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:163134"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.[Na+].[Cr+3]"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"chromic;sodium;bis(4-(5-chloro-2-oxido-4-sulfamoyl-phenyl)azo-3-methyl-1-phenyl-pyrazol-5-olate)",
"sodium;bis(4-(5-chloro-2-oxido-4-sulfamoylphenyl)azo-3-methyl-1-phenyl-5-pyrazololate);chromium(3+)",
"sodium;bis(4-[(5-chloranyl-2-oxidanidyl-4-sulfamoyl-phenyl)diazenyl]-3-methyl-1-phenyl-pyrazol-5-olate);chromium(3+)",
"sodium;bis(4-[(5-chloro-2-oxido-4-sulfamoylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-olate);chromium(3+)"
],
"attested_by": {
"chromic;sodium;bis(4-(5-chloro-2-oxido-4-sulfamoyl-phenyl)azo-3-methyl-1-phenyl-pyrazol-5-olate)": [
"enrich_references.pubchem_semantic"
],
"sodium;bis(4-(5-chloro-2-oxido-4-sulfamoylphenyl)azo-3-methyl-1-phenyl-5-pyrazololate);chromium(3+)": [
"enrich_references.pubchem_semantic"
],
"sodium;bis(4-[(5-chloranyl-2-oxidanidyl-4-sulfamoyl-phenyl)diazenyl]-3-methyl-1-phenyl-pyrazol-5-olate);chromium(3+)": [
"enrich_references.pubchem_semantic"
],
"sodium;bis(4-[(5-chloro-2-oxido-4-sulfamoylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-olate);chromium(3+)": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:163134"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
886.632
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.[Na+].[Cr+3]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.[Na+].[Cr+3]"
]
}
],
"attested_by": {
"886.632": [
"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": [
884.989982
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.[Na+].[Cr+3]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.[Na+].[Cr+3]"
]
}
],
"attested_by": {
"884.989982": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.060.506",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:163134;CAS:67109-27-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[67109-27-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=67109-27-7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"67109-27-7"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID301015021",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:163134;CAS:67109-27-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[67109-27-7]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3LBB41R06C",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:163134;CAS:67109-27-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[67109-27-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/163134",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:163134;CAS:67109-27-7"
],
"prov:wasDerivedFrom": "pubchem.by_cas[67109-27-7]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0a558854-8606-429c-b9ec-782ae68f600a",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "multi_component_ionic",
"reason": "",
"types": [
"https://w3id.org/chemrof/ChemicalSalt"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"67109-27-7"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=67109-27-7"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=67109-27-7"
}
],
"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": [
"266-577-8"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=266-577-8"
],
"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/ChemicalSalt"
]
}