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CHEBI:203541 - Fasciculol H

Default Structure
ChEBI IDCHEBI:203541
ChEBI NameFasciculol H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O5
Net Charge0
Average Mass490.725
Monoisotopic Mass490.36582
SMILESC[C@H](CC[C@@H](O)C(C)(C)O)[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/C30H50O5/c1-17(9-12-23(32)27(4,5)35)18-13-14-29(7)19-10-11-22-26(2,3)25(34)21(31)16-28(22,6)20(19)15-24(33)30(18,29)8/h17-18,21-23,25,31-32,34-35H,9-16H2,1-8H3/t17-,18-,21-,22?,23-,25+,28-,29+,30+/m1/s1
InChIKeyDHYNMMKCYKLJKR-NLDHOXITSA-N
Species of MetaboliteComponentSourceComments
Hypholoma fasciculare (ncbitaxon:72129) - PubMed (22006714)
ChEBI Ontology
Outgoing Relation(s)
Fasciculol H (CHEBI:203541) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R,3R,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-2,3-dihydroxy-4,4,10,13,14-pentamethyl-1,2,3,5,6,7,11,15,16,17-decahydrocyclopenta[a]phenanthren-12-one
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28289161ChemSpider