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CHEBI:171931 - Ganoderiol I

Default Structure
ChEBI IDCHEBI:171931
ChEBI NameGanoderiol I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H50O5
Net Charge0
Average Mass502.736
Monoisotopic Mass502.36582
SMILES[H][C@@]12C[C@@H](OC)C3=C(CC[C@]4(C)[C@@]([H])([C@H](C)CCC=C(CO)CO)C[C@H](O)[C@@]34C)[C@@]1(C)CCC(=O)C2(C)C
InChIInChI=1S/C31H50O5/c1-19(9-8-10-20(17-32)18-33)22-15-26(35)31(6)27-21(11-14-30(22,31)5)29(4)13-12-25(34)28(2,3)24(29)16-23(27)36-7/h10,19,22-24,26,32-33,35H,8-9,11-18H2,1-7H3/t19-,22-,23-,24+,26+,29-,30-,31+/m1/s1
InChIKeySQJBJGSQYVYNPM-LROVZANASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Ganoderiol I (CHEBI:171931) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5R,7R,10S,13R,14R,15S,17R)-15-hydroxy-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-7-methoxy-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
78437775ChemSpider