← Back to consensus flow objects
White Mineral Oil (petroleum)
| Flow Object ID | fo-296416aa45d923d7 | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 8042-47-5 | ||||
| EC Numbers | 232-455-8 | ||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
HSXUHWZMNJHFRV-UHFFFAOYSA-L, MMHTXEATDNFMMY-ITDIGPHOSA-N
|
| InChI |
InChI=1S/C15H16O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-5,10,12,16-18H,6H2,1-2H3/t10-,12-,15+/m0/s1, InChI=1S/C16H12N2O7S2.2Na/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2
|
| IUPAC name |
(2S,3S,4aR)-2,3,7-trihydroxy-9-methoxy-4a-methyl-3,4-dihydro-2H-benzo[c][1]benzopyran-6-one, (2S,3S,4aR)-2,3,7-trihydroxy-9-methoxy-4a-methyl-3,4-dihydro-2H-benzo[c]chromen-6-one, (2S,3S,4aR)-9-methoxy-4a-methyl-2,3,7-tris(oxidanyl)-3,4-dihydro-2H-benzo[c]chromen-6-one, disodium;7-hydroxy-8-phenylazo-naphthalene-1,3-disulfonate, disodium;7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate, disodium;7-oxidanyl-8-phenyldiazenyl-naphthalene-1,3-disulfonate
|
| Molecular formula |
C15H16O6, C16H10N2Na2O7S2
|
| SMILES |
C1=CC=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+], CC12CC(C(C=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O)O, C[C@@]12C[C@@H]([C@H](C=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O)O
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J827.491F
- https://chem.echa.europa.eu/100.016.096
- https://commonchemistry.cas.org/detail?cas_rn=8042-47-5
- https://comptox.epa.gov/dashboard/DTXSID6021082
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1Q6EJU80RN
- https://pubchem.ncbi.nlm.nih.gov/compound/16015
- https://pubchem.ncbi.nlm.nih.gov/compound/92465879
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:199751
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82427
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL410263
- https://www.kegg.jp/entry/C19372
- https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=116686
- https://www.wikidata.org/wiki/Q1117877
- https://www.wikidata.org/wiki/Q75067694
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
7e44e584… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 1 |
b5212e45… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
0def776a… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 1 |
5633b9dd… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 1 |
59dc698f… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 1 |
fc6700ae… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 1 |
12b74f48… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 1 |
5c402ad7… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 1 |
7f1c275e… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 1 |
3c5e539b… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 1 |
544299f0… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
0def776a… |
cas_match_labels |
— |
{"8042-47-5":"exactMatch"} |
group_key=whitemineraloil(petroleum)||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'8042-47-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-296416aa45d923d7: {'8042-47-5': 'exactMatch'} |
12b74f48… |
cas_match_labels |
— |
{"8042-47-5":"exactMatch"} |
group_key=whitemineraloil(petroleum)||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'8042-47-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-296416aa45d923d7: {'8042-47-5': 'exactMatch'} |
3c5e539b… |
cas_match_labels |
— |
{"8042-47-5":"exactMatch"} |
group_key=whitemineraloil(petroleum)||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'8042-47-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-296416aa45d923d7: {'8042-47-5': 'exactMatch'} |
544299f0… |
cas_match_labels |
— |
{"8042-47-5":"exactMatch"} |
group_key=whitemineraloil(petroleum)||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'8042-47-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-296416aa45d923d7: {'8042-47-5': 'exactMatch'} |
5633b9dd… |
cas_match_labels |
— |
{"8042-47-5":"exactMatch"} |
group_key=whitemineraloil(petroleum)||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'8042-47-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-296416aa45d923d7: {'8042-47-5': 'exactMatch'} |
59dc698f… |
cas_match_labels |
— |
{"8042-47-5":"exactMatch"} |
group_key=whitemineraloil(petroleum)||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'8042-47-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-296416aa45d923d7: {'8042-47-5': 'exactMatch'} |
5c402ad7… |
cas_match_labels |
— |
{"8042-47-5":"exactMatch"} |
group_key=whitemineraloil(petroleum)||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'8042-47-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-296416aa45d923d7: {'8042-47-5': 'exactMatch'} |
6fc3a358… |
cas_match_labels |
— |
{"8042-47-5":"exactMatch"} |
group_key=whitemineraloil(petroleum)||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'8042-47-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-296416aa45d923d7: {'8042-47-5': 'exactMatch'} |
7e44e584… |
cas_match_labels |
— |
{"8042-47-5":"exactMatch"} |
group_key=whitemineraloil(petroleum)||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'8042-47-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-296416aa45d923d7: {'8042-47-5': 'exactMatch'} |
7f1c275e… |
cas_match_labels |
— |
{"8042-47-5":"exactMatch"} |
group_key=whitemineraloil(petroleum)||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'8042-47-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-296416aa45d923d7: {'8042-47-5': 'exactMatch'} |
990446cb… |
cas_match_labels |
— |
{"8042-47-5":"exactMatch"} |
group_key=whitemineraloil(petroleum)||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'8042-47-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-296416aa45d923d7: {'8042-47-5': 'exactMatch'} |
b5212e45… |
cas_match_labels |
— |
{"8042-47-5":"exactMatch"} |
group_key=whitemineraloil(petroleum)||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'8042-47-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-296416aa45d923d7: {'8042-47-5': 'exactMatch'} |
fc6700ae… |
cas_match_labels |
— |
{"8042-47-5":"exactMatch"} |
group_key=whitemineraloil(petroleum)||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'8042-47-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-296416aa45d923d7: {'8042-47-5': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-296416aa45d923d7",
"prefLabel": [
{
"@value": "White Mineral Oil (petroleum)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C15H16O6",
"C16H10N2Na2O7S2"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16015",
"CID:92465879"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"HSXUHWZMNJHFRV-UHFFFAOYSA-L",
"MMHTXEATDNFMMY-ITDIGPHOSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16015",
"CID:92465879"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C1=CC=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]",
"CC12CC(C(C=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O)O",
"C[C@@]12C[C@@H]([C@H](C=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O)O"
],
"rdfs:label": "SMILES",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16015",
"CID:92465879"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C15H16O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-5,10,12,16-18H,6H2,1-2H3/t10-,12-,15+/m0/s1",
"InChI=1S/C16H12N2O7S2.2Na/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2"
],
"rdfs:label": "InChI",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16015",
"CID:92465879"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"(2S,3S,4aR)-2,3,7-trihydroxy-9-methoxy-4a-methyl-3,4-dihydro-2H-benzo[c][1]benzopyran-6-one",
"(2S,3S,4aR)-2,3,7-trihydroxy-9-methoxy-4a-methyl-3,4-dihydro-2H-benzo[c]chromen-6-one",
"(2S,3S,4aR)-9-methoxy-4a-methyl-2,3,7-tris(oxidanyl)-3,4-dihydro-2H-benzo[c]chromen-6-one",
"disodium;7-hydroxy-8-phenylazo-naphthalene-1,3-disulfonate",
"disodium;7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate",
"disodium;7-oxidanyl-8-phenyldiazenyl-naphthalene-1,3-disulfonate"
],
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16015",
"CID:92465879"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J827.491F",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:92465879;CAS:8042-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[8042-47-5]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.016.096",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16015;CAS:8042-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[8042-47-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=8042-47-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"8042-47-5"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID6021082",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16015;CAS:8042-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[8042-47-5]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1Q6EJU80RN",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16015;CAS:8042-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[8042-47-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16015",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16015;CAS:8042-47-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[8042-47-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/92465879",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:92465879;CAS:8042-47-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[8042-47-5]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:199751",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:92465879;CAS:8042-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[8042-47-5]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82427",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16015;CAS:8042-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[8042-47-5]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL410263",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16015;CAS:8042-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[8042-47-5]"
}
},
{
"@id": "https://www.kegg.jp/entry/C19372",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16015;CAS:8042-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[8042-47-5]"
}
},
{
"@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=116686",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:92465879;CAS:8042-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[8042-47-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q1117877",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16015;CAS:8042-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[8042-47-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q75067694",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:92465879;CAS:8042-47-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[8042-47-5]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0def776a-5d3a-464c-abac-80933ecd6139",
"seed_source": "EF 3.1"
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"8042-47-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=8042-47-5"
],
"skos:exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=8042-47-5"
}
],
"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": [
"232-455-8"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=232-455-8"
],
"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
}