Consensus flow list

(-)-Menthol

fo-ca60949f8836c805

Identity

Type
NeutralMolecule
CAS
2216-51-5
EC
218-690-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
62 across every transformer

Structure

Structure diagram for (-)-Menthol

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 NOOLISFMXDJSKH-KXUCPTDWSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O
IUPAC name chemrof:IUPAC_name (-)-(1R,3R,4S)-menthol
Molecular formula chemrof:molecular_formula C10H20O
Molecular mass chemrof:molecular_mass 156.269
Monoisotopic mass chemrof:monoisotopic_mass 156.151415, 156.15142
SMILES string chemrof:smiles_string CC1CCC(C(C)C)C(O)C1

Known URLs

55

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=2216-51-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15409 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.763 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.992 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.238.660 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020805 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1022180 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00825 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00825 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB14123 enrich_references.pubchem_identifier_url
drugcentral drugcentral:934 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/934 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2603 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62788 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758395 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL470670 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/menthol-racemic enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BZ1R15MTK7 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YS08XHA860 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0003352 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.251G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00400 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00064 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00400 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00064 enrich_references.pubchem_identifier_url
knapsack knapsack:C00000810 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMPR0102090001 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMPR0102090001 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=126880 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=28091 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=--MENTHOL enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C61809 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C75073 enrich_references.pubchem_identifier_url
patent patent:CN101602651 enrich_references.chebi_xrefs
patent patent:US2011313205 enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA164776605 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/D4NYDDUYGWT3 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL470670 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16666 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=337961 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=584740 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/17021997 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17498839 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18640225 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21353674 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22218824 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22348831 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23800946 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23963768 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7974298 enrich_references.chebi_xrefs
reaxys reaxys:1902293 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1430390 enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/236388 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q407418 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Menthol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
ebdde5ee-712b-471f-959b-af81d0855d75 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b0086257-1bf2-40e0-a482-c697621c60bc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
5eb9683a-7731-4c0f-9725-8613e3f9c90b Environmental → Air → Indoor EF 3.1 kg 2
e0151b22-63a6-4e3b-a765-b44d58385f56 Environmental → Air → Long-term EF 3.1 kg 0
84b526f1-31c1-4fe7-bd87-c7304a7035c8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2e21a811-2776-43d7-b7e3-c90bed70bc77 Environmental → Air → Unknown EF 3.1 kg 2
bb568ee7-3186-4afe-b193-9723635292ab Environmental → Ground → Agricultural EF 3.1 kg 2
56988a30-257d-49c1-9324-32faf92de7f9 Environmental → Ground → Non-agricultural EF 3.1 kg 2
d71ed643-4f3b-4398-a326-116a94016573 Environmental → Ground → Unknown EF 3.1 kg 2
8b178047-2bc1-44c7-b5ed-7b42c970889c Environmental → Water → Long-term EF 3.1 kg 0
3c6d9e8a-bae9-4db5-aee3-e7c1ce87bf83 Environmental → Water → Ocean EF 3.1 kg 2
54598f54-eba2-4759-885c-86a26c2c1126 Environmental → Water → Surface water EF 3.1 kg 2
193ef6a9-d91c-42f7-8e02-ae5ca27fe8d6 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (62 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-ca60949f8836c805",
  "prefLabel": [
    {
      "@value": "(-)-Menthol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(-)-(1R,3R,4S)-menthol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(-)-trans-p-Menthan-cis-3-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(1alpha,2beta,5alpha)-5-methyl-2(1-methylethyl)cyclohexanol",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(1R)-(-)-Menthol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(1R,2S,5R)-(-)-Menthol",
      "@language": "en",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=2216-51-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(1R,2S,5R)-2-Isopropyl-5-methylcyclohexan-1-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=2216-51-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=2216-51-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(1R,2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(1R,3R,4S)-(-)-menthol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_15409"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(1R-(1-alpha,2-beta,5-alpha))-5-methyl-2-(1-methylethyl)cyclohexanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_15409"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(R)-(-)-Menthol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2216-51-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2216-51-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1R-Menthol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2216-51-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2216-51-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2216-51-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2216-51-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1R-(1α,2β,5α)]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2216-51-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2216-51-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hakkano",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2216-51-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2216-51-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "l-(-)-Menthol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2216-51-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2216-51-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "L-menthol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "L-Mentholum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2216-51-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2216-51-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "levomenthol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_15409"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "levomentholum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_15409"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "levomentol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_15409"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Menthol, (1R,3R,4S)-(-)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2216-51-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2216-51-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Minclea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2216-51-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2216-51-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H20O"
      ],
      "attested_by": {
        "C10H20O": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O"
          ]
        }
      ]
    },
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