(1s,5r)-6,8-dioxabicyclo[3.2.1]octan-4-one /n

← Back to consensus flows

(1s,5r)-6,8-dioxabicyclo[3.2.1]octan-4-one /n

UUID 9aa1bee0-fdcc-4bd7-807a-3d081eb93d5c

Deprecated yes

Replaced By ef930ecd-6bce-424f-99a0-e28fcc9d3040

Flow Object ID fo-eee4a7d63d55448a

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 53716-82-8

EC Numbers 807-130-4

prefLabel

Language	Value	Provenance
`en`	`(1s,5r)-6,8-dioxabicyclo[3.2.1]octan-4-one /n`

altLabel ⓘ

Language	Value	Provenance
`en`	`(1<em>R</em>)-7,8-Dioxabicyclo[3.2.1]octan-2-one`
`en`	`(1<em>S</em>,5<em>R</em>)-6,8-Dioxabicyclo[3.2.1]octan-4-one`
`en`	`(5<em>R</em>)-6,8-Dioxabicyclo[3.2.1]octan-4-one`
`en`	`6,8-Dioxabicyclo[3.2.1]octan-4-one, (1<em>S</em>)-`
`en`	`6,8-Dioxabicyclo[3.2.1]octan-4-one, (1<em>S</em>,5<em>R</em>)-`
`en`	`Cyrene`
`en`	`Dihydrolevoglucosenone`

References

Shared Properties

Predicate	Value
InChIKey	`WHIRALQRTSITMI-BAFYGKSASA-N, WHIRALQRTSITMI-UJURSFKZSA-N`
InChI	`InChI=1S/C6H8O3/c7-5-2-1-4-3-8-6(5)9-4/h4,6H,1-3H2/t4-,6+/m0/s1, InChI=1S/C6H8O3/c7-5-2-1-4-3-8-6(5)9-4/h4,6H,1-3H2/t4?,6-/m1/s1`
IUPAC name	`(1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-one, (5R)-6,8-dioxabicyclo[3.2.1]octan-4-one`
Molecular formula	`C6H8O3`
SMILES	`C1CC(=O)C2OCC1O2, C1CC(=O)[C@@H]2OCC1O2, C1CC(=O)[C@@H]2OC[C@H]1O2`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`9aa1bee0-fdcc-4bd7-807a-3d081eb93d5c`	(1s,5r)-6,8-dioxabicyclo[3.2.1]octan-4-one /n

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=(1s,5r)-6,8-dioxabicyclo[3.2.1]octan-4-one/n\|\|dimension=Environmental > media=Air > strata=Unknown; cas=53716-82-8; added Common Chemistry CAS names as altLabel: (1<em>R</em>)-7,8-Dioxabicyclo[3.2.1]octan-2-one, (1<em>S</em>,5<em>R</em>)-6,8-Dioxabicyclo[3.2.1]octan-4-one, (5<em>R</em>)-6,8-Dioxabicyclo[3.2.1]octan-4-one, 6,8-Dioxabicyclo[3.2.1]octan-4-one, (1<em>S</em>)-, 6,8-Dioxabicyclo[3.2.1]octan-4-one, (1<em>S</em>,5<em>R</em>)-, Cyrene, Dihydrolevoglucosenone; object_uuid=fo-eee4a7d63d55448a
`cas_match_labels`	1	`—`	consensus_match	group_key=(1s,5r)-6,8-dioxabicyclo[3.2.1]octan-4-one/n\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'53716-82-8': []}; assigned CAS labels from group consensus; object_uuid=fo-eee4a7d63d55448a: {'53716-82-8': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(1<em>R</em>)-7,8-Dioxabicyclo[3.2.1]octan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:53716-82-8', 'https://commonchemistry.cas.org/detail?cas_rn=53716-82-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(1<em>S</em>,5<em>R</em>)-6,8-Dioxabicyclo[3.2.1]octan-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:53716-82-8', 'https://commonchemistry.cas.org/detail?cas_rn=53716-82-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(5<em>R</em>)-6,8-Dioxabicyclo[3.2.1]octan-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:53716-82-8', 'https://commonchemistry.cas.org/detail?cas_rn=53716-82-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '6,8-Dioxabicyclo[3.2.1]octan-4-one, (1<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:53716-82-8', 'https://commonchemistry.cas.org/detail?cas_rn=53716-82-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '6,8-Dioxabicyclo[3.2.1]octan-4-one, (1<em>S</em>,5<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:53716-82-8', 'https://commonchemistry.cas.org/detail?cas_rn=53716-82-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyrene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:53716-82-8', 'https://commonchemistry.cas.org/detail?cas_rn=53716-82-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dihydrolevoglucosenone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:53716-82-8', 'https://commonchemistry.cas.org/detail?cas_rn=53716-82-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=(1s,5r)-6,8-dioxabicyclo[3.2.1]octan-4-one/n\|\|dimension=Environmental > media=Air > strata=Unknown; cas=53716-82-8; added Common Chemistry CAS names as altLabel: (1<em>R</em>)-7,8-Dioxabicyclo[3.2.1]octan-2-one, (1<em>S</em>,5<em>R</em>)-6,8-Dioxabicyclo[3.2.1]octan-4-one, (5<em>R</em>)-6,8-Dioxabicyclo[3.2.1]octan-4-one, 6,8-Dioxabicyclo[3.2.1]octan-4-one, (1<em>S</em>)-, 6,8-Dioxabicyclo[3.2.1]octan-4-one, (1<em>S</em>,5<em>R</em>)-, Cyrene, Dihydrolevoglucosenone; object_uuid=fo-eee4a7d63d55448a
`cas_match_labels`	`None`	`{'53716-82-8': 'exactMatch'}`	group_key=(1s,5r)-6,8-dioxabicyclo[3.2.1]octan-4-one/n\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'53716-82-8': []}; assigned CAS labels from group consensus; object_uuid=fo-eee4a7d63d55448a: {'53716-82-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "9aa1bee0-fdcc-4bd7-807a-3d081eb93d5c",
  "name": null,
  "cas_numbers": [
    "53716-82-8"
  ],
  "ec_numbers": [
    "807-130-4"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "9aa1bee0-fdcc-4bd7-807a-3d081eb93d5c",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "9aa1bee0-fdcc-4bd7-807a-3d081eb93d5c",
      "source_flow_name": "(1s,5r)-6,8-dioxabicyclo[3.2.1]octan-4-one /n",
      "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": "(1s,5r)-6,8-dioxabicyclo[3.2.1]octan-4-one /n",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "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": [
        "C6H8O3"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10975499",
          "CID:16762483"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "WHIRALQRTSITMI-BAFYGKSASA-N",
        "WHIRALQRTSITMI-UJURSFKZSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10975499",
          "CID:16762483"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1CC(=O)C2OCC1O2",
        "C1CC(=O)[C@@H]2OCC1O2",
        "C1CC(=O)[C@@H]2OC[C@H]1O2"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10975499",
          "CID:16762483"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C6H8O3/c7-5-2-1-4-3-8-6(5)9-4/h4,6H,1-3H2/t4-,6+/m0/s1",
        "InChI=1S/C6H8O3/c7-5-2-1-4-3-8-6(5)9-4/h4,6H,1-3H2/t4?,6-/m1/s1"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10975499",
          "CID:16762483"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-one",
        "(5R)-6,8-dioxabicyclo[3.2.1]octan-4-one"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10975499",
          "CID:16762483"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.424.053A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10975499;CAS:53716-82-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[53716-82-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.234.612",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10975499;CAS:53716-82-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[53716-82-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=53716-82-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10975499;CAS:53716-82-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[53716-82-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID30450332",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10975499;CAS:53716-82-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[53716-82-8]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Dihydrolevoglucosenone",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10975499;CAS:53716-82-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[53716-82-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/10975499",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10975499;CAS:53716-82-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[53716-82-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16762483",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16762483;CAS:53716-82-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[53716-82-8]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4758795",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10975499;CAS:53716-82-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[53716-82-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q48247950",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:10975499;CAS:53716-82-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[53716-82-8]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(1<em>R</em>)-7,8-Dioxabicyclo[3.2.1]octan-2-one",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53716-82-8",
          "https://commonchemistry.cas.org/detail?cas_rn=53716-82-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(1<em>S</em>,5<em>R</em>)-6,8-Dioxabicyclo[3.2.1]octan-4-one",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53716-82-8",
          "https://commonchemistry.cas.org/detail?cas_rn=53716-82-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(5<em>R</em>)-6,8-Dioxabicyclo[3.2.1]octan-4-one",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53716-82-8",
          "https://commonchemistry.cas.org/detail?cas_rn=53716-82-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6,8-Dioxabicyclo[3.2.1]octan-4-one, (1<em>S</em>)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53716-82-8",
          "https://commonchemistry.cas.org/detail?cas_rn=53716-82-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6,8-Dioxabicyclo[3.2.1]octan-4-one, (1<em>S</em>,5<em>R</em>)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53716-82-8",
          "https://commonchemistry.cas.org/detail?cas_rn=53716-82-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyrene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53716-82-8",
          "https://commonchemistry.cas.org/detail?cas_rn=53716-82-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dihydrolevoglucosenone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53716-82-8",
          "https://commonchemistry.cas.org/detail?cas_rn=53716-82-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "53716-82-8": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:ef930ecd-6bce-424f-99a0-e28fcc9d3040",
  "is_replaced_by_uuid": "ef930ecd-6bce-424f-99a0-e28fcc9d3040",
  "flow_object_id": "fo-eee4a7d63d55448a"
}