Consensus flow list

(-)-Carvone

fo-fed856a73ed15bfa

Identity

Type
NeutralMolecule
CAS
6485-40-1
EC
229-352-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for (-)-Carvone

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

Alternative labels

25

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ULDHMXUKGWMISQ-SECBINFHSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C=C(C)[C@@H]1CC=C(C)C(=O)C1
IUPAC name chemrof:IUPAC_name (4R)-p-mentha-1(6),8-dien-2-one
Molecular formula chemrof:molecular_formula C10H14O
Molecular mass chemrof:molecular_mass 150.221
Monoisotopic mass chemrof:monoisotopic_mass 150.104465, 150.10447
SMILES string chemrof:smiles_string C=C(C)C1CC=C(C)C(=O)C1

Known URLs

24

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
beilstein beilstein:3588497 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=6485-40-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15400 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.026.684 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7041413 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2229268 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/carvone enrich_references.pubchem_identifier_url
gmelin gmelin:83213 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5TO7X34D3D enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0035089 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J15.688D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C01767 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C01767 enrich_references.pubchem_identifier_url
knapsack knapsack:C00000807 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMPR0102090007 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMPR0102090007 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=28097 enrich_references.pubchem_identifier_url
ppdb ppdb:125 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/439570 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=584719 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11380545 enrich_references.chebi_xrefs
reaxys reaxys:2206714 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0627 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27089417 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0e857796-da0d-49e5-a26e-2ef0283e4cb6 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
266f03b2-65f3-4079-98ac-507f6bfd31d1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
eefa90d1-0d34-4c32-a7a6-6efab807f6d1 Environmental → Air → Indoor EF 3.1 kg 4
a01dfb4d-6312-4f69-b149-e66127e3382a Environmental → Air → Long-term EF 3.1 kg 0
840531bc-ef26-45cb-a2b2-c4ca3067c252 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1a63be41-df3b-4853-b601-ffc607d9e95e Environmental → Air → Unknown EF 3.1 kg 4
f046316e-1e09-4c68-90e3-13d970652593 Environmental → Ground → Agricultural EF 3.1 kg 4
dcd6f1b9-2a88-4fdf-bbbf-a7c12ca56371 Environmental → Ground → Non-agricultural EF 3.1 kg 4
930a1d37-77ab-4b03-8292-d75317b22835 Environmental → Ground → Unknown EF 3.1 kg 4
ba456736-9b4f-4bd8-b8ed-c77f24389e09 Environmental → Water → Long-term EF 3.1 kg 0
8ca4115d-ef8c-4fc0-bc6f-0b22b0cddaa4 Environmental → Water → Ocean EF 3.1 kg 4
f110c3e9-8649-4b63-b282-7fbba7d3e11b Environmental → Water → Surface water EF 3.1 kg 4
deb5b3dd-64cd-42d4-a011-6d70a7f27f67 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-fed856a73ed15bfa",
  "prefLabel": [
    {
      "@value": "(-)-Carvone",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(-)-(4R)-carvone",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(-)-(5R)-Carvone",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(-)-(R)-carvone",
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      }
    },
    {
      "@value": "(-)-p-mentha-6,8-dien-2-one",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(4R)-(-)-Carvone",
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        ],
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      }
    },
    {
      "@value": "(4R)-Carvone",
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      "@value": "(4R)-p-mentha-1(6),8-dien-2-one",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(5R)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    {
      "@value": "(5R)-2-Methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "(R)-(-)-carvone",
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    },
    {
      "@value": "(R)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one",
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      "@lang": "en",
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      }
    },
    {
      "@value": "(R)-5-isopropenyl-2-methylcyclohex-2-en-1-one",
      "@language": "en",
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      }
    },
    {
      "@value": "(R)-carvone",
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      }
    },
    {
      "@value": "2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5R)-",
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      }
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    {
      "@value": "2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (R)-",
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        ],
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      }
    },
    {
      "@value": "5-isopropenyl-2-methylcyclohex-2-en-1-one",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "L-(-)-Carvone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "l-1-methyl-4-isopropenyl-6-cyclohexen-2-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "l-carvone",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "l-p-mentha-1(6),8-dien-2-one",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Laevo carvone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "levo-carvone",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "p-Mentha-6,8-dien-2-one, (R)-(-)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "R-(-)-Carvone",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
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        "C10H14O"
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      "attested_by": {
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      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ULDHMXUKGWMISQ-SECBINFHSA-N"
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      "rdfs:label": "InChIKey",
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