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CHEBI:214775 - Fasciculol I

Default Structure
ChEBI IDCHEBI:214775
ChEBI NameFasciculol I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O6
Net Charge0
Average Mass506.724
Monoisotopic Mass506.36074
SMILESCC(C)(O)[C@H](O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC(=O)[C@]12C)[C@@]1(C)C[C@@H](O)[C@H](O)C(C)(C)C1CC3
InChIInChI=1S/C30H50O6/c1-26(2)22-10-9-19-20(28(22,5)15-21(32)25(26)35)14-24(34)30(7)18(12-13-29(19,30)6)17(16-31)8-11-23(33)27(3,4)36/h17-18,21-23,25,31-33,35-36H,8-16H2,1-7H3/t17-,18+,21+,22?,23+,25-,28+,29-,30-/m0/s1
InChIKeyMNTGMRBOSQJGGX-OFFFSSCYSA-N
Species of MetaboliteComponentSourceComments
Hypholoma fasciculare (ncbitaxon:72129) - PubMed (22006714)
ChEBI Ontology
Outgoing Relation(s)
Fasciculol I (CHEBI:214775) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R,3R,10S,13R,14S,17R)-2,3-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,5,6,7,11,15,16,17-decahydrocyclopenta[a]phenanthren-12-one
Manual XrefsDatabases
78441336ChemSpider