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CHEBI:201309 - Phellinignincisterol B

ChEBI IDCHEBI:201309
ChEBI NamePhellinignincisterol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O5
Net Charge0
Average Mass364.482
Monoisotopic Mass364.22497
SMILESC[C@H](C=CC(C)(O)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)O[C@H]3CC[C@]12C
InChIInChI=1S/C21H32O5/c1-13(6-10-20(5,24)18(2,3)23)14-7-11-21(25)15-12-17(22)26-16(15)8-9-19(14,21)4/h6,10,12-14,16,23-25H,7-9,11H2,1-5H3/t13-,14-,16+,19-,20?,21-/m1/s1
InChIKeyKJLCZLBABYCKPW-TYLZOSBASA-N
Species of MetaboliteComponentSourceComments
Phellinus igniarius (ncbitaxon:40472) - PubMed (20583752)
ChEBI Ontology
Outgoing Relation(s)
Phellinignincisterol B (CHEBI:201309) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3aS,5aR,6R,8aS)-6-[(2R)-5,6-dihydroxy-5,6-dimethylhept-3-en-2-yl]-8a-hydroxy-5a-methyl-3a,4,5,6,7,8-hexahydrocyclopenta[e][1]benzouran-2-one
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78436750ChemSpider