No PROV-O consensus activities found for this flow.
{
"uuid": "9f888594-d612-40ca-8ddc-c58180aba7be",
"name": null,
"cas_numbers": [
"204254-84-2"
],
"ec_numbers": [
"606-548-2"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Unknown"
},
"general_comment": null,
"synonyms": [],
"unit": "kg",
"lcia_methods": [],
"source": "EF 3.1",
"identifier": "9f888594-d612-40ca-8ddc-c58180aba7be",
"input_datasets": [
"EF 3.1"
],
"source_refs": [
{
"list_name": "EF",
"list_version": "3.1",
"source_flow_uuid": "9f888594-d612-40ca-8ddc-c58180aba7be",
"source_flow_name": "ethyl (3ar,7r,7ar)-2,2-dimethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate",
"source_metadata": {
"input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
"input_dataset": "EF 3.1",
"original_context": [
"Emissions",
"Emissions to water",
"Emissions to water, unspecified (long-term)"
]
}
}
],
"prefLabel": [
{
"@value": "Ethyl (3ar,7r,7ar)-2,2-dimethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"_sources": {
"prefLabel": "normalize_name_case",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "enrich_references",
"skos:definition": "enrich_references",
"references": "enrich_references",
"altLabel": "consensus_match",
"cas_match_labels": "consensus_match"
},
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C13H20O7S",
"C15H24O5S"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9948980",
"CID:23565516",
"CID:165364821"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"PRRFQXHAXJDWGV-JHJVBQTASA-N",
"VSLJKWHERQGBEK-GMTAPVOTSA-N",
"VSLJKWHERQGBEK-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9948980",
"CID:23565516",
"CID:165364821"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CCOC(=O)C1=CC2C(C(C1)OS(=C)(=C)C)OC(O2)(C)C",
"CCOC(=O)C1=CC2C(C(C1)OS(=O)(=O)C)OC(O2)(C)C",
"CCOC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OS(=C)(=C)C)OC(O2)(C)C",
"CCOC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OS(=O)(=O)C)OC(O2)(C)C"
],
"rdfs:label": "SMILES",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9948980",
"CID:23565516",
"CID:165364821"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C13H20O7S/c1-5-17-12(14)8-6-9-11(19-13(2,3)18-9)10(7-8)20-21(4,15)16/h6,9-11H,5,7H2,1-4H3",
"InChI=1S/C13H20O7S/c1-5-17-12(14)8-6-9-11(19-13(2,3)18-9)10(7-8)20-21(4,15)16/h6,9-11H,5,7H2,1-4H3/t9-,10-,11-/m1/s1",
"InChI=1S/C15H24O5S/c1-7-17-14(16)10-8-11-13(19-15(2,3)18-11)12(9-10)20-21(4,5)6/h8,11-13H,4-5,7,9H2,1-3,6H3/t11-,12-,13-/m1/s1"
],
"rdfs:label": "InChI",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9948980",
"CID:23565516",
"CID:165364821"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"(3aR,7R,7aR)-2,2-dimethyl-7-[methyl(dimethylene)-lambda6-sulfanyl]oxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid ethyl ester",
"(3aR,7R,7aR)-2,2-dimethyl-7-[methyl(dimethylene)persulfuranyl]oxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid ethyl ester",
"(3aR,7R,7aR)-2,2-dimethyl-7-methylsulfonyloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid ethyl ester",
"2,2-dimethyl-7-methylsulfonyloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid ethyl ester",
"ethyl (3aR,7R,7aR)-2,2-dimethyl-7-[methyl(dimethylene)-lambda6-sulfanyl]oxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate",
"ethyl (3aR,7R,7aR)-2,2-dimethyl-7-[methyl(dimethylidene)-lambda6-sulfanyl]oxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate",
"ethyl (3aR,7R,7aR)-2,2-dimethyl-7-methylsulfonyloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate",
"ethyl 2,2-dimethyl-7-methylsulfonyloxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate"
],
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9948980",
"CID:23565516",
"CID:165364821"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"skos:definition": [],
"references": [
{
"@id": "https://chem.echa.europa.eu/100.106.986",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23565516;CAS:204254-84-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[204254-84-2]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=204254-84-2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9948980;CAS:204254-84-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[204254-84-2]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID501036146",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:165364821;CAS:204254-84-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[204254-84-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/165364821",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:165364821;CAS:204254-84-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[204254-84-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23565516",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23565516;CAS:204254-84-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[204254-84-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/9948980",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9948980;CAS:204254-84-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[204254-84-2]"
}
}
],
"altLabel": [
{
"@value": "1,3-Benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-, ethyl ester, (3a<em>R</em>,7<em>R</em>,7a<em>R</em>)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:204254-84-2",
"https://commonchemistry.cas.org/detail?cas_rn=204254-84-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,3-Benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-, ethyl ester, [3a<em>R</em>-(3aα,7α,7aα)]-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:204254-84-2",
"https://commonchemistry.cas.org/detail?cas_rn=204254-84-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethyl (3a<em>R</em>,7<em>R</em>,7a<em>R</em>)-3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:204254-84-2",
"https://commonchemistry.cas.org/detail?cas_rn=204254-84-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethyl (3aR,7R,7aR)-2,2-dimethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydrobenzo[<em>d</em>][1,3]dioxole-5-carboxylate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:204254-84-2",
"https://commonchemistry.cas.org/detail?cas_rn=204254-84-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethyl 3,4-<em>O</em>-isopropylidene-5-<em>O</em>-methanesulfonylshikimate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:204254-84-2",
"https://commonchemistry.cas.org/detail?cas_rn=204254-84-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"cas_match_labels": {
"204254-84-2": "exactMatch"
},
"http://www.w3.org/2002/07/owl#deprecated": true,
"http://purl.org/dc/terms/isReplacedBy": "urn:uuid:3b574fe2-a1a2-4f09-95bd-d636fbdd5178",
"is_replaced_by_uuid": "3b574fe2-a1a2-4f09-95bd-d636fbdd5178",
"flow_object_id": "fo-e37de77114d56c4a"
}