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CHEBI:191443 - Calamendiol

ChEBI IDCHEBI:191443
ChEBI NameCalamendiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O2
Net Charge0
Average Mass238.371
Monoisotopic Mass238.19328
SMILES[H][C@@]12CCC(=C)C[C@@]1(O)[C@H](C(C)C)CC[C@]2(C)O
InChIInChI=1S/C15H26O2/c1-10(2)12-7-8-14(4,16)13-6-5-11(3)9-15(12,13)17/h10,12-13,16-17H,3,5-9H2,1-2,4H3/t12-,13-,14-,15+/m0/s1
InChIKeyAHNGXHRYFGQWSL-ZQDZILKHSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Calamendiol (CHEBI:191443) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,4S,4aR,8aS)-1-methyl-6-methylidene-4-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1,4a-diol
Manual XrefsDatabases
158282ChemSpider
Registry NumbersSources
CAS:30167-28-3ChemIDplus