EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:211172 - Khusinol D

ChEBI IDCHEBI:211172
ChEBI NameKhusinol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESCC1=C[C@H]2[C@@H](CC1)[C@H](C(=O)O)CC[C@@H]2[C@H](C)CO
InChIInChI=1S/C15H24O3/c1-9-3-4-12-13(15(17)18)6-5-11(10(2)8-16)14(12)7-9/h7,10-14,16H,3-6,8H2,1-2H3,(H,17,18)/t10-,11-,12+,13-,14-/m1/s1
InChIKeyXJQKXTUWCXCVTK-RKQHYHRCSA-N
Species of MetaboliteComponentSourceComments
Graphostroma (ncbitaxon:190933) - DOI (10.1016/j.tet.2017.11.013)
ChEBI Ontology
Outgoing Relation(s)
Khusinol D (CHEBI:211172) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,4S,4aR,8aR)-4-[(2S)-1-hydroxypropan-2-yl]-6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-1-carboxylic acid
Manual XrefsDatabases
63002563ChemSpider