EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215171 - Ganodecalone B

Default Structure
ChEBI IDCHEBI:215171
ChEBI NameGanodecalone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O3
Net Charge0
Average Mass438.652
Monoisotopic Mass438.31340
SMILESCC(=O)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C29H42O3/c1-18(9-8-10-19(2)30)20-13-16-28(6)21-11-12-23-26(3,4)24(32)14-15-27(23,5)25(21)22(31)17-29(20,28)7/h8,10,18,20,23H,9,11-17H2,1-7H3/b10-8+/t18-,20-,23+,27+,28+,29-/m1/s1
InChIKeySGBNYANGOPKPRX-QCVMKDKESA-N
Species of MetaboliteComponentSourceComments
Ganoderma calidophilum (ncbitaxon:2026244) - PubMed (28800421)
ChEBI Ontology
Outgoing Relation(s)
Ganodecalone B (CHEBI:215171) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(E,2R)-6-oxohept-4-en-2-yl]-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Manual XrefsDatabases
78442371ChemSpider