Consensus flow list

Cyanite

fo-b21edc73bf3905db

Identity

Type
Molecular complex
CAS
1302-76-7
EC
215-106-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
19 across every transformer

Structure

Structure diagram for Cyanite

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

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string INJRKJPEYSAMPD-UHFFFAOYSA-N, QLQXOMQWDYQMSE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/2Al.H4O4Si.H2O/c;;1-5(2,3)4;/h;;1-4H;1H2, InChI=1S/Al.O4Si.H2O/c;1-5(2,3)4;/h;;1H2/q;-4;
Molecular formula chemrof:molecular_formula Al2H6O5Si, AlH2O5Si-4, H6Al2O5Si
SMILES string chemrof:smiles_string O.O[Si](O)(O)O.[Al].[Al], O.[O-][Si]([O-])([O-])[O-].[Al]

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=1302-76-7 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/170843564 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6336541 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q26840755 enrich_references.pubchem_identifier_url

Elementary flows

1
Flow Context Source Unit CFs
08a91e70-3ddc-11dd-97f3-0050c2490048 Resource → Ground EF 3.1 kg 0

History

Everything that changed this substance (19 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-b21edc73bf3905db",
  "prefLabel": [
    {
      "@value": "Cyanite",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Disthene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kyanite",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kyanite (Al2O(SiO4))",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Silatherm T 1360-400AST",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Silatherm T 1360EST",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "Al2H6O5Si",
        "AlH2O5Si-4",
        "H6Al2O5Si"
      ],
      "attested_by": {
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        ],
        "AlH2O5Si-4": [
          "enrich_references.pubchem_semantic"
        ],
        "H6Al2O5Si": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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        {
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            "O.O[Si](O)(O)O.[Al].[Al]"
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        },
        {
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          "prov:hadPrimarySource": [
            "O.O[Si](O)(O)O.[Al].[Al]"
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      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
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        "INJRKJPEYSAMPD-UHFFFAOYSA-N",
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      ],
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        "QLQXOMQWDYQMSE-UHFFFAOYSA-N": [
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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          "prov:hadPrimarySource": [
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        }
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "O.O[Si](O)(O)O.[Al].[Al]",
        "O.[O-][Si]([O-])([O-])[O-].[Al]"
      ],
      "attested_by": {
        "O.O[Si](O)(O)O.[Al].[Al]": [
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          "rdkit_post_consensus"
        ],
        "O.[O-][Si]([O-])([O-])[O-].[Al]": [
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        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
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          "prov:hadPrimarySource": [
            "O.O[Si](O)(O)O.[Al].[Al]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/2Al.H4O4Si.H2O/c;;1-5(2,3)4;/h;;1-4H;1H2",
        "InChI=1S/Al.O4Si.H2O/c;1-5(2,3)4;/h;;1H2/q;-4;"
      ],
      "attested_by": {
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        ],
        "InChI=1S/Al.O4Si.H2O/c;1-5(2,3)4;/h;;1H2/q;-4;": [
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        ]
      },
      "rdfs:label": "InChI",
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        },
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          "prov:hadPrimarySource": [
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  },
  "references": [
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  ],
  "created_from": {
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    "seed_uuid": "08a91e70-3ddc-11dd-97f3-0050c2490048",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
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  },
  "classifications": {
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=1302-76-7"
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      ],
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        "prov:wasDerivedFrom": "ec_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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