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CHEBI:175404 - 3-Epinobilin

ChEBI IDCHEBI:175404
ChEBI Name3-Epinobilin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILESC=C1C(=O)OC2/C=C(\C)C(O)C/C=C(\C)CC(OC(=O)/C(C)=C\C)C12
InChIInChI=1S/C20H26O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-6-,13-10+
InChIKeyQFINJHBXXJQKPB-QLDBJWRKSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Epinobilin (CHEBI:175404) is a germacranolide (CHEBI:73011)
IUPAC Name 
[(6E,10E)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]uran-4-yl] (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
HMDB0036690HMDB
35014202ChemSpider