Flow object JSON
{
"flow_object_id": "fo-6189c07f08fe8a4f",
"prefLabel": [
{
"@value": "Triammonium Hydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate",
"@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": "Acetic acid, (ethylenedinitrilo)tetra-, triammonium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15934-01-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=15934-01-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Chelest 3N",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15934-01-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=15934-01-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Chelest 3N50",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15934-01-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=15934-01-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "EDTA triammonium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15934-01-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=15934-01-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethylenediaminetetraacetic acid triammonium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15934-01-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=15934-01-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, ammonium salt (1:3)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15934-01-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=15934-01-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, triammonium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15934-01-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=15934-01-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Triammonium (ethylenedinitrilo)tetraacetate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15934-01-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=15934-01-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Triammonium ethylenediaminetetraacetate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15934-01-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=15934-01-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Versene Tri-Ammonium EDTA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:15934-01-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=15934-01-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C10H25N5O8"
],
"attested_by": {
"C10H25N5O8": [
"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:85197",
"CID:12024893"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[NH4+].[NH4+].[NH4+]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"XKWFRVVFRZYIFP-UHFFFAOYSA-N"
],
"attested_by": {
"XKWFRVVFRZYIFP-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:85197",
"CID:12024893"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[NH4+].[NH4+].[NH4+]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[NH4+].[NH4+].[NH4+]"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Triammonium Hydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[NH4+].[NH4+].[NH4+]"
]
}
],
"attested_by": {
"O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[NH4+].[NH4+].[NH4+]": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C10H16N2O8.3H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);3*1H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Triammonium Hydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[NH4+].[NH4+].[NH4+]"
]
}
],
"attested_by": {
"InChI=1S/C10H16N2O8.3H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);3*1H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Triammonium Hydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Triammonium Hydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate"
]
},
"attested_by": {
"Triammonium Hydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
343.337
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.N.N.N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[NH4+].[NH4+].[NH4+]"
]
}
],
"attested_by": {
"343.337": [
"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": [
343.170313
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.N.N.N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[NH4+].[NH4+].[NH4+]"
]
}
],
"attested_by": {
"343.170313": [
"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/100.036.415",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:85197;CAS:15934-01-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[15934-01-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=15934-01-7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"15934-01-7"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID9058317",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12024893;CAS:15934-01-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[15934-01-7]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6F23W9ABGW",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:85197;CAS:15934-01-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[15934-01-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/12024893",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12024893;CAS:15934-01-7"
],
"prov:wasDerivedFrom": "pubchem.by_cas[15934-01-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/85197",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:85197;CAS:15934-01-7"
],
"prov:wasDerivedFrom": "pubchem.by_cas[15934-01-7]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27264778",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:85197;CAS:15934-01-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[15934-01-7]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "10134dc0-6055-4346-836d-9ead0afb2936",
"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": [
"15934-01-7"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=15934-01-7"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=15934-01-7"
}
],
"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": [
"240-073-8"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=240-073-8"
],
"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"
]
}
