Consensus flow list

(-)-Menthone

fo-fe29a99aabd86f4d

Identity

Type
NeutralMolecule
CAS
14073-97-3
EC
237-926-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for (-)-Menthone

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

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NFLGAXVYCFJBMK-BDAKNGLRSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CC(C)[C@@H]1CC[C@@H](C)CC1=O
IUPAC name chemrof:IUPAC_name (1R,4S)-p-menthan-3-one
Molecular formula chemrof:molecular_formula C10H18O
Molecular mass chemrof:molecular_mass 154.253
Monoisotopic mass chemrof:monoisotopic_mass 154.135765, 154.13577
SMILES string chemrof:smiles_string CC1CCC(C(C)C)C(=O)C1

Known URLs

25

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:2041368 enrich_references.chebi_xrefs
beilstein beilstein:3648743 enrich_references.chebi_xrefs
beilstein beilstein:3648744 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=14073-97-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15410 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.765 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.034.464 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2044478 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3044384 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB15920 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL276311 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/menthone enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5F709W4OG4 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0035162 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.142A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00843 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00843 enrich_references.pubchem_identifier_url
knapsack knapsack:C00000811 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMPR0102090004 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMPR0102090004 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=28094 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/26447 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=032329 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q424902 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Menthone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ed1e9591-89d2-4c8b-a6ac-75f6d3833ce0 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b38ef4d5-4011-4869-a170-eca427def60d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
246a3fbf-7cfa-4573-94fb-55006c456dea Environmental → Air → Indoor EF 3.1 kg 4
9d0e1a78-4033-46ac-80d1-76884b9ac815 Environmental → Air → Long-term EF 3.1 kg 0
2e703a38-6493-4bba-bfe4-d84e43b6b907 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
faba65de-a670-424e-aff5-1ad9afb4e45d Environmental → Air → Unknown EF 3.1 kg 4
f1bf0e11-7752-496e-bdb7-cd0ef6456e93 Environmental → Ground → Agricultural EF 3.1 kg 4
b1631ead-c79d-48e0-a39a-4c34322c904c Environmental → Ground → Non-agricultural EF 3.1 kg 4
bd2c573c-eeb2-4054-8dc1-4210c859e83b Environmental → Ground → Unknown EF 3.1 kg 4
c8dc2d2b-8c61-4519-bd4f-8ef23b0d3c53 Environmental → Water → Long-term EF 3.1 kg 0
e0bb626e-3079-4645-976b-454a62798493 Environmental → Water → Ocean EF 3.1 kg 4
00d93479-95a5-4e32-9086-6fde01a6622e Environmental → Water → Surface water EF 3.1 kg 4
5c292581-0a3d-48bf-bc3e-244d643005fc 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-fe29a99aabd86f4d",
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    {
      "@value": "(-)-Menthone",
      "@language": "en",
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      "@value": "(-)-L-Menthone",
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    },
    {
      "@value": "(2S,5R)-(-)-Menthone",
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      "@value": "(2S,5R)-2-Isopropyl-5-methylcyclohexan-1-one",
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      "@value": "(2S,5R)-2-isopropyl-5-methylcyclohexanone",
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