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CHEBI:174336 - Apotrichodiol

ChEBI IDCHEBI:174336
ChEBI NameApotrichodiol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILES[H][C@]12C=C(C)CC[C@]1(C)[C@@]1(C)C[C@@H](O)C[C@@]1(CO)O2
InChIInChI=1S/C15H24O3/c1-10-4-5-13(2)12(6-10)18-15(9-16)8-11(17)7-14(13,15)3/h6,11-12,16-17H,4-5,7-9H2,1-3H3/t11-,12+,13+,14-,15+/m1/s1
InChIKeyLRGJZQCUGTZKGE-FQKPHLNHSA-N
ChEBI Ontology
Outgoing Relation(s)
Apotrichodiol (CHEBI:174336) is a oxolanes (CHEBI:26912)
IUPAC Name 
(2R,3aR,4aS,8aR,8bR)-3a-(hydroxymethyl)-6,8a,8b-trimethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzouran-2-ol
Manual XrefsDatabases
129686ChemSpider
Registry NumbersSources
CAS:104148-45-0ChemIDplus