Flow object JSON
{
"flow_object_id": "fo-dd02cc847a5dada1",
"prefLabel": [
{
"@value": "3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene",
"@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": "(Perfluorobutyl)ethene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19430-93-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19430-93-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(Perfluorobutyl)ethylene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19430-93-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19430-93-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,1,2-Trihydroperfluoro-1-hexene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19430-93-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19430-93-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-(Perfluorobutyl)ethene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19430-93-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19430-93-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-Hexene, 3,3,4,4,5,5,6,6,6-nonafluoro-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19430-93-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19430-93-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1H,1H,2H-Nonafluoro-1-hexene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19430-93-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19430-93-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1H,1H,2H-Perfluoro-1-hexene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19430-93-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19430-93-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19430-93-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19430-93-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,3,4,4,5,5,6,6,6-Nonafluorohexene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19430-93-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19430-93-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3.3.4.4.5.5.6.6.6-Nonafluorohex-1-ene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19430-93-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19430-93-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "6,6,6,5,5,4,4,3,3-Nonafluoro-1-hexene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19430-93-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19430-93-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cheminox PFBE",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19430-93-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19430-93-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "PFBE",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19430-93-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19430-93-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Zonyl PFBE",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:19430-93-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=19430-93-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H3F9"
],
"attested_by": {
"C6H3F9": [
"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:88054"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"GVEUEBXMTMZVSD-UHFFFAOYSA-N"
],
"attested_by": {
"GVEUEBXMTMZVSD-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:88054"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F"
]
},
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3,3,4,4,5,5,6,6,6-Nonafluorohex-1-ene"
]
}
],
"attested_by": {
"C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C6H3F9/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H,1H2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F"
]
},
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3,3,4,4,5,5,6,6,6-Nonafluorohex-1-ene"
]
}
],
"attested_by": {
"InChI=1S/C6H3F9/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H,1H2": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene",
"3,3,4,4,5,5,6,6,6-Nonafluorohex-1-ene"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene",
"3,3,4,4,5,5,6,6,6-Nonafluorohex-1-ene"
]
},
"attested_by": {
"3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene": [
"opsin_iupac"
],
"3,3,4,4,5,5,6,6,6-Nonafluorohex-1-ene": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
246.072
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F"
]
}
],
"attested_by": {
"246.072": [
"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": [
246.009104
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F"
]
}
],
"attested_by": {
"246.009104": [
"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=J28.314B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88054;CAS:19430-93-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[19430-93-4]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.039.124",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88054;CAS:19430-93-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[19430-93-4]"
}
},
{
"@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1697",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88054;CAS:19430-93-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[19430-93-4]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=19430-93-4",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88054;CAS:19430-93-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[19430-93-4]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID6047575",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88054;CAS:19430-93-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[19430-93-4]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/86ZS98WVU7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88054;CAS:19430-93-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[19430-93-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/88054",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88054;CAS:19430-93-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[19430-93-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#1993",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88054;CAS:19430-93-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[19430-93-4]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q72500444",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:88054;CAS:19430-93-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[19430-93-4]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "008c0e18-ba79-438f-b880-d77a903f54d3",
"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": [
"19430-93-4"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=19430-93-4"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=19430-93-4"
}
],
"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": [
"243-053-7"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=243-053-7"
],
"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"
]
}
