Consensus flow list

Identity

Type
Chemical salt
CAS
12168-80-8
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
17 across every transformer

Structure

Structure diagram for Feldspar

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DLHONNLASJQAHX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/Al.K.8O.3Si/q+3;+1;8*-2;3*+4
IUPAC name chemrof:IUPAC_name aluminum;potassium;octakis(oxygen(2-));tris(silicon(4+))
Molecular formula chemrof:molecular_formula AlKO8Si3
Molecular mass chemrof:molecular_mass 278.33
Monoisotopic mass chemrof:monoisotopic_mass 277.835342
SMILES string chemrof:smiles_string [Al+3].[K+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Si+4].[Si+4].[Si+4]

Known URLs

8

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=12168-80-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.212.288 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID901021761 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/96874XSJ39 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3080680 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q15725543 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Feldspar enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Orthoclase enrich_references.pubchem_identifier_url

Elementary flows

1
Flow Context Source Unit CFs
4d9a8790-3ddd-11dd-9125-0050c2490048 Resource → Ground EF 3.1 kg 0

History

Everything that changed this substance (17 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f3a7b24112c1fee7",
  "prefLabel": [
    {
      "@value": "Feldspar",
      "@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": [],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "AlKO8Si3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_authoritative",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "InChI=1S/Al.K.8O.3Si/q+3;+1;8*-2;3*+4"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Al+3].[K+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Si+4].[Si+4].[Si+4]"
          ]
        }
      ],
      "attested_by": {
        "AlKO8Si3": [
          "rdkit_authoritative",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "DLHONNLASJQAHX-UHFFFAOYSA-N"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_authoritative",
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          "prov:hadPrimarySource": [
            "InChI=1S/Al.K.8O.3Si/q+3;+1;8*-2;3*+4"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Al+3].[K+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Si+4].[Si+4].[Si+4]"
          ]
        }
      ],
      "attested_by": {
        "DLHONNLASJQAHX-UHFFFAOYSA-N": [
          "rdkit_authoritative",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "[Al+3].[K+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Si+4].[Si+4].[Si+4]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_authoritative",
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            "InChI=1S/Al.K.8O.3Si/q+3;+1;8*-2;3*+4"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Al+3].[K+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Si+4].[Si+4].[Si+4]"
          ]
        }
      ],
      "attested_by": {
        "[Al+3].[K+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Si+4].[Si+4].[Si+4]": [
          "rdkit_authoritative",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/Al.K.8O.3Si/q+3;+1;8*-2;3*+4"
      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
            "InChI=1S/Al.K.8O.3Si/q+3;+1;8*-2;3*+4"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Al+3].[K+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Si+4].[Si+4].[Si+4]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/Al.K.8O.3Si/q+3;+1;8*-2;3*+4": [
          "rdkit_authoritative",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "aluminum;potassium;octakis(oxygen(2-));tris(silicon(4+))"
      ],
      "attested_by": {
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          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3080680"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        278.33
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_authoritative",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "InChI=1S/Al.K.8O.3Si/q+3;+1;8*-2;3*+4"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Al+3].[K+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Si+4].[Si+4].[Si+4]"
          ]
        }
      ],
      "attested_by": {
        "278.33": [
          "rdkit_authoritative",
          "rdkit_post_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": [
        277.835342
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_authoritative",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "InChI=1S/Al.K.8O.3Si/q+3;+1;8*-2;3*+4"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Al+3].[K+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Si+4].[Si+4].[Si+4]"
          ]
        }
      ],
      "attested_by": {
        "277.835342": [
          "rdkit_authoritative",
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.212.288",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[12168-80-8]"
      }
    },
    {
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      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID901021761",
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        "prov:wasDerivedFrom": "pubchem.identifiers[12168-80-8]"
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    },
    {
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      "provenance": {
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    },
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    {
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      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[12168-80-8]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "4d9a8790-3ddd-11dd-9125-0050c2490048",
    "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": [
        "12168-80-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=12168-80-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=12168-80-8"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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