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CHEBI:209425 - Inonotsudiol A

Default Structure
ChEBI IDCHEBI:209425
ChEBI NameInonotsudiol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILESCC(C)=CCCC(C)C1CCC2(C)C3=C(C(O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3
InChIInChI=1S/C30H50O2/c1-19(2)10-9-11-20(3)21-14-17-29(7)22-12-13-24-27(4,5)25(32)15-16-28(24,6)26(22)23(31)18-30(21,29)8/h10,20-21,23-25,31-32H,9,11-18H2,1-8H3
InChIKeyWNVDPHMLWOSJRD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Inonotus obliquus (ncbitaxon:167356) - PubMed (20691456)
ChEBI Ontology
Outgoing Relation(s)
Inonotsudiol A (CHEBI:209425) is a triterpenoid (CHEBI:36615)
IUPAC Name 
4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
Manual XrefsDatabases
78444386ChemSpider