EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190726 - Ganodermanondiol

Default Structure
ChEBI IDCHEBI:190726
ChEBI NameGanodermanondiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O3
Net Charge0
Average Mass456.711
Monoisotopic Mass456.36035
SMILES[H][C@@]12CC=C3C(=CC[C@@]4(C)[C@@]3(C)CC[C@]4([H])[C@H](C)CC[C@H](O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C
InChIInChI=1S/C30H48O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,14,19-20,23,25,32-33H,9,11-13,15-18H2,1-8H3/t19-,20-,23+,25+,28-,29-,30+/m1/s1
InChIKeyAAJIHHYEPHRIET-XEFAKFPISA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - DOI (10.1021/np50048a029)
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
Ganodermanondiol (CHEBI:190726) is a triterpenoid (CHEBI:36615)
IUPAC Names 
(10S,13R,14R,17R)-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
(5R,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
66034ChemSpider
8429051ChemSpider
Registry NumbersSources
CAS:107900-76-5ChemIDplus