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CHEBI:202015 - Cubentriol

ChEBI IDCHEBI:202015
ChEBI NameCubentriol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O3
Net Charge0
Average Mass322.489
Monoisotopic Mass322.25079
SMILESC[C@@H]1[C@@H](O)C[C@H](O)[C@]2(C)[C@@H]3CC[C@]12C[C@@]1(C)C[C@H](O)C(C)(C)[C@@H]31
InChIInChI=1S/C20H34O3/c1-11-13(21)8-14(22)19(5)12-6-7-20(11,19)10-18(4)9-15(23)17(2,3)16(12)18/h11-16,21-23H,6-10H2,1-5H3/t11-,12-,13+,14+,15+,16-,18-,19+,20+/m1/s1
InChIKeyHHWKNOVKWCABEV-MIORRFSHSA-N
Species of MetaboliteComponentSourceComments
Xylaria cubensis (ncbitaxon:114814) - DOI (10.1002/hlca.201400091)
ChEBI Ontology
Outgoing Relation(s)
Cubentriol (CHEBI:202015) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,3S,5S,7S,8R,9R,10S,12S,13S)-3,6,6,9,13-pentamethyltetracyclo[6.5.2.01,9.03,7]pentadecane-5,10,12-triol
Manual XrefsDatabases
78440876ChemSpider