EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198371 - Kandenol D

ChEBI IDCHEBI:198371
ChEBI NameKandenol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O4
Net Charge0
Average Mass268.353
Monoisotopic Mass268.16746
SMILESCC1=CC(=O)C[C@]2(C)CC[C@H](C(C)(C)O)C[C@@]12OO
InChIInChI=1S/C15H24O4/c1-10-7-12(16)9-14(4)6-5-11(13(2,3)17)8-15(10,14)19-18/h7,11,17-18H,5-6,8-9H2,1-4H3/t11-,14-,15+/m0/s1
InChIKeyXPVKEIHKYHPNSX-TUKIKUTGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (23234344)
ChEBI Ontology
Outgoing Relation(s)
Kandenol D (CHEBI:198371) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
(4aS,6S,8aS)-4a-hydroperoxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
Manual XrefsDatabases
28649400ChemSpider