Flow object JSON
{
"flow_object_id": "fo-08a932b2646c6f83",
"prefLabel": [
{
"@value": "Reaction Mass Of 1-(3-isopropylphenyl)-1-methylethyl Hydroperoxide And 1-(4-isopropylphenyl)-1-methylethyl Hydroperoxide",
"@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": "Bis(1-methylethyl)phenyl hydroperoxide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:26762-93-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=26762-93-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DBHP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:26762-93-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=26762-93-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diisopropylphenyl hydroperoxide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:26762-93-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=26762-93-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hydroperoxide, bis(1-methylethyl)phenyl",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:26762-93-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=26762-93-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hydroperoxide, diisopropylphenyl",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:26762-93-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=26762-93-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Isopropylcumyl hydroperoxide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:26762-93-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=26762-93-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Luperox DH",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:26762-93-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=26762-93-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Peroxan IHP 50",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:26762-93-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=26762-93-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C12H18O2",
"C12H19O2-",
"C12H20O2"
],
"attested_by": {
"C12H18O2": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
],
"C12H19O2-": [
"enrich_references.pubchem_semantic"
],
"C12H20O2": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17764890",
"CID:19830371",
"CID:57376481",
"CID:73555666"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)c1cccc(OO)c1C(C)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ADNTWSHRSHPGHG-UHFFFAOYSA-N",
"CCNDGKOREYKPJK-UHFFFAOYSA-N",
"LQRLKPVYXRVAPK-UHFFFAOYSA-N",
"SPTHWAJJMLCAQF-UHFFFAOYSA-M"
],
"attested_by": {
"ADNTWSHRSHPGHG-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic"
],
"CCNDGKOREYKPJK-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
],
"LQRLKPVYXRVAPK-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic"
],
"SPTHWAJJMLCAQF-UHFFFAOYSA-M": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17764890",
"CID:19830371",
"CID:57376481",
"CID:73555666"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)c1cccc(OO)c1C(C)C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(C)c1cccc(OO)c1C(C)C"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Bis(1-methylethyl)phenyl hydroperoxide"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)c1cccc(OO)c1C(C)C"
]
}
],
"attested_by": {
"CC(C)c1cccc(OO)c1C(C)C": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C12H18O2/c1-8(2)10-6-5-7-11(14-13)12(10)9(3)4/h5-9,13H,1-4H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Bis(1-methylethyl)phenyl hydroperoxide"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)c1cccc(OO)c1C(C)C"
]
}
],
"attested_by": {
"InChI=1S/C12H18O2/c1-8(2)10-6-5-7-11(14-13)12(10)9(3)4/h5-9,13H,1-4H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Bis(1-methylethyl)phenyl hydroperoxide"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Bis(1-methylethyl)phenyl hydroperoxide"
]
},
"attested_by": {
"Bis(1-methylethyl)phenyl hydroperoxide": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J147.366B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:73555666;CAS:26762-93-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[26762-93-6]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=26762-93-6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"26762-93-6"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID00892265",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:73555666;CAS:26762-93-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[26762-93-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/17764890",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:17764890;CAS:26762-93-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[26762-93-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/19830371",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:19830371;CAS:26762-93-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[26762-93-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/57376481",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:57376481;CAS:26762-93-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[26762-93-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/73555666",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:73555666;CAS:26762-93-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[26762-93-6]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q81982026",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:73555666;CAS:26762-93-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[26762-93-6]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "078aab45-3228-4dd1-85f7-67ed3eb2de82",
"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": [
"26762-93-6"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=26762-93-6"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=26762-93-6"
}
],
"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": [
"247-988-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=247-988-1"
],
"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"
]
}
