Flow object JSON
{
"flow_object_id": "fo-fe7e16efdf7a7356",
"prefLabel": [
{
"@value": "Arsenic(3+)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "flow_layers.pubchem_element_enrichment",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Common Chemistry",
"EF 3.1",
"PubChem"
],
"prov:wasDerivedFrom": "ion.prefLabel.titlecase"
}
}
],
"altLabel": [
{
"@value": "arsenic (iii)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "carry_member_names",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "source_flow_name"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"As+3"
],
"attested_by": {
"As+3": [
"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:104734"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[As+3]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"LULLIKNODDLMDQ-UHFFFAOYSA-N"
],
"attested_by": {
"LULLIKNODDLMDQ-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:104734"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[As+3]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"[As+3]"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Arsenic (iii)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[As+3]"
]
}
],
"attested_by": {
"[As+3]": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/As/q+3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Arsenic (iii)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[As+3]"
]
}
],
"attested_by": {
"InChI=1S/As/q+3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Arsenic (iii)"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Arsenic (iii)"
]
},
"attested_by": {
"Arsenic (iii)": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
74.922
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[As+3]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[As+3]"
]
}
],
"attested_by": {
"74.922": [
"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": [
74.919951
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[As+3]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[As+3]"
]
}
],
"attested_by": {
"74.919951": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"relationships": {
"parent_element_flow_object_id": "fo-59b3f7e57542f6bb",
"relationship_type": "ion_of",
"provenance": {
"prov:wasGeneratedBy": "flow_layers.pubchem_element_enrichment",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"PubChem",
"Common Chemistry"
],
"prov:wasDerivedFrom": "ion_label_to_base_element_mapping"
}
},
"https://w3id.org/chemrof/elemental_charge": {
"rdfs:label": "elemental charge",
"@value": [
3
],
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
"provenance": {
"prov:wasGeneratedBy": "flow_layers.pubchem_element_enrichment",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ion_label_charge_state_regex_parse"
}
},
"https://w3id.org/chemrof/has_element": {
"rdfs:label": "has element",
"@value": [
{
"@id": "https://vocab.brightway.dev/flow-objects/fo-59b3f7e57542f6bb"
}
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "relationships.parent_element_flow_object_id"
}
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=22541-54-4",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"22541-54-4"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID30872434",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:104734;CAS:22541-54-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22541-54-4]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/C96613F5AV",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:104734;CAS:22541-54-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22541-54-4]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0002290",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:104734;CAS:22541-54-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22541-54-4]"
}
},
{
"@id": "https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C68235",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:104734;CAS:22541-54-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22541-54-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/104734",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:104734;CAS:22541-54-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[22541-54-4]"
}
},
{
"@id": "https://rxnav.nlm.nih.gov/id/rxnorm/1485046",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:104734;CAS:22541-54-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22541-54-4]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35828",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:104734;CAS:22541-54-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22541-54-4]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27116590",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:104734;CAS:22541-54-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22541-54-4]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "04a3f6fb-6c30-4912-8a5a-73294fddf9a9",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "monoatomic_ion",
"reason": "",
"types": [
"https://w3id.org/chemrof/AtomCation"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.monoatomic_ion"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"22541-54-4"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=22541-54-4"
],
"provenance": {
"prov:wasGeneratedBy": "flow_layers.pubchem_element_enrichment",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1;PubChem;Common Chemistry;EC inventory"
],
"prov:wasDerivedFrom": "cas_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/AtomCation"
]
}
