Consensus flow list

Olivine

fo-ff664bf254cb0d29

Identity

Type
Molecular complex
CAS
19086-72-7
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
16 across every transformer

Structure

Structure diagram for Olivine

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BVRHQICYSINRIG-UHFFFAOYSA-N, JQKZWELAVLIFIA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/Fe.3Mg.2H4O4Si/c;;;;2*1-5(2,3)4/h;;;;2*1-4H, InChI=1S/Fe.3Mg.2O4Si/c;;;;2*1-5(2,3)4/q4*+2;2*-4
IUPAC name chemrof:IUPAC_name ferrous;trimagnesium;diorthosilicate, ferrous;trimagnesium;disilicate, trimagnesium;iron(2+);disilicate
Molecular formula chemrof:molecular_formula FeH8Mg3O8Si2, FeMg3O8Si2, H8FeMg3O8Si2
SMILES string chemrof:smiles_string O[Si](O)(O)O.O[Si](O)(O)O.[Mg].[Mg].[Mg].[Fe], [O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2].[Fe+2]

Known URLs

4

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=19086-72-7 enrich_references.consensus_cas_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9049663 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/49794954 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6336632 enrich_references.pubchem_compound

Elementary flows

1
Flow Context Source Unit CFs
e2fa8f8e-6555-11dd-ad8b-0800200c9a66 Resource → Ground EF 3.1 kg 0

History

Everything that changed this substance (16 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-ff664bf254cb0d29",
  "prefLabel": [
    {
      "@value": "Olivine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "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",
      "@value": [
        "FeH8Mg3O8Si2",
        "FeMg3O8Si2",
        "H8FeMg3O8Si2"
      ],
      "attested_by": {
        "FeH8Mg3O8Si2": [
          "enrich_references.pubchem_semantic"
        ],
        "FeMg3O8Si2": [
          "enrich_references.pubchem_semantic"
        ],
        "H8FeMg3O8Si2": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O[Si](O)(O)O.O[Si](O)(O)O.[Mg].[Mg].[Mg].[Fe]"
          ]
        },
        {
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          "prov:hadPrimarySource": [
            "O[Si](O)(O)O.O[Si](O)(O)O.[Mg].[Mg].[Mg].[Fe]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BVRHQICYSINRIG-UHFFFAOYSA-N",
        "JQKZWELAVLIFIA-UHFFFAOYSA-N"
      ],
      "attested_by": {
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        ],
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        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
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        {
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          "prov:hadPrimarySource": [
            "O[Si](O)(O)O.O[Si](O)(O)O.[Mg].[Mg].[Mg].[Fe]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "O[Si](O)(O)O.O[Si](O)(O)O.[Mg].[Mg].[Mg].[Fe]",
        "[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2].[Fe+2]"
      ],
      "attested_by": {
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        ],
        "[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2].[Fe+2]": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "O[Si](O)(O)O.O[Si](O)(O)O.[Mg].[Mg].[Mg].[Fe]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/Fe.3Mg.2H4O4Si/c;;;;2*1-5(2,3)4/h;;;;2*1-4H",
        "InChI=1S/Fe.3Mg.2O4Si/c;;;;2*1-5(2,3)4/q4*+2;2*-4"
      ],
      "attested_by": {
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        ],
        "InChI=1S/Fe.3Mg.2O4Si/c;;;;2*1-5(2,3)4/q4*+2;2*-4": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:6336632",
            "CID:49794954"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O[Si](O)(O)O.O[Si](O)(O)O.[Mg].[Mg].[Mg].[Fe]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "ferrous;trimagnesium;diorthosilicate",
        "ferrous;trimagnesium;disilicate",
        "trimagnesium;iron(2+);disilicate"
      ],
      "attested_by": {
        "ferrous;trimagnesium;diorthosilicate": [
          "enrich_references.pubchem_semantic"
        ],
        "ferrous;trimagnesium;disilicate": [
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        ],
        "trimagnesium;iron(2+);disilicate": [
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        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "references": [
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9049663",
      "provenance": {
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    },
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        "prov:wasDerivedFrom": "pubchem.by_cas[19086-72-7]"
      }
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "e2fa8f8e-6555-11dd-ad8b-0800200c9a66",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_neutral",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
      }
    }
  },
  "classifications": {
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        "19086-72-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=19086-72-7"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        }
      ],
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
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  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ]
}

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