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CHEBI:205902 - Phellinignincisterol C

ChEBI IDCHEBI:205902
ChEBI NamePhellinignincisterol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O5
Net Charge0
Average Mass364.482
Monoisotopic Mass364.22497
SMILESC[C@H](C=C[C@H](CO)C(C)(C)O)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]3(O)CC[C@]12C
InChIInChI=1S/C21H32O5/c1-13(5-6-14(12-22)19(2,3)24)15-7-8-16-17-11-18(23)26-21(17,25)10-9-20(15,16)4/h5-6,11,13-16,22,24-25H,7-10,12H2,1-4H3/t13-,14-,15-,16+,20-,21+/m1/s1
InChIKeyKNOYIRAECGPNAK-XIOBDQBBSA-N
Species of MetaboliteComponentSourceComments
Phellinus igniarius (ncbitaxon:40472) - PubMed (20583752)
ChEBI Ontology
Outgoing Relation(s)
Phellinignincisterol C (CHEBI:205902) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3aS,5aR,6R,8aR)-3a-hydroxy-6-[(2R,5R)-6-hydroxy-5-(hydroxymethyl)-6-methylhept-3-en-2-yl]-5a-methyl-4,5,6,7,8,8a-hexahydrocyclopenta[e][1]benzouran-2-one
Manual XrefsDatabases
78437850ChemSpider