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CHEBI:172034 - Ganoderiol F

Default Structure
ChEBI IDCHEBI:172034
ChEBI NameGanoderiol F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILES[H][C@@]12CC=C3C(=CC[C@@]4(C)[C@@]3(C)CC[C@]4([H])[C@H](C)CCC=C(CO)CO)[C@@]1(C)CCC(=O)C2(C)C
InChIInChI=1S/C30H46O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25,31-32H,7-8,11-12,14-19H2,1-6H3/t20-,22-,25+,28-,29-,30+/m1/s1
InChIKeyJVGJXXNUVVQEIG-MCKXIFHVSA-N
Species of MetaboliteComponentSourceComments
Ganoderma sinense (ncbitaxon:36075) - PubMed (26287401)
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Ganoderiol F (CHEBI:172034) is a triterpenoid (CHEBI:36615)
IUPAC Names 
(10S,13R,14R,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-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)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
413674ChemSpider
4476369ChemSpider
Registry NumbersSources
CAS:114567-47-4ChemIDplus