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CHEBI:219689 - Phellinignincisterol A

ChEBI IDCHEBI:219689
ChEBI NamePhellinignincisterol A
Stars
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@@]2(O)C3=CC(=O)O[C@H]3CC[C@]12C
InChIInChI=1S/C21H32O5/c1-13(5-6-14(12-22)19(2,3)24)15-7-10-21(25)16-11-18(23)26-17(16)8-9-20(15,21)4/h5-6,11,13-15,17,22,24-25H,7-10,12H2,1-4H3/t13-,14-,15-,17+,20-,21-/m1/s1
InChIKeyDPLUBJMWMWJWLE-HPGAYVIXSA-N
Species of MetaboliteComponentSourceComments
Phellinus igniarius (ncbitaxon:40472) - PubMed (20583752)
ChEBI Ontology
Outgoing Relation(s)
Phellinignincisterol A (CHEBI:219689) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3aS,5aR,6R,8aS)-8a-hydroxy-6-[(2R,5R)-6-hydroxy-5-(hydroxymethyl)-6-methylhept-3-en-2-yl]-5a-methyl-3a,4,5,6,7,8-hexahydrocyclopenta[e][1]benzouran-2-one
Manual XrefsDatabases
78437634ChemSpider