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CHEBI:201463 - Wilforlide A

Default Structure
ChEBI IDCHEBI:201463
ChEBI NameWilforlide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILESCC12CC(OC1=O)C1(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C1C2
InChIInChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-23,31H,9-17H2,1-7H3
InChIKeyHHQJBWYXBWOFJY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Wilforlide A (CHEBI:201463) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1S,2R,5S,6R,9R,11S,14R,15R,19S,21S)-11-hydroxy-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-22-one
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