CHEBI:175404 - 3-Epinobilin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-Epinobilin
ChEBI ID CHEBI:175404
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26O5
Net Charge 0
Average Mass 346.423
Monoisotopic Mass 346.17802
InChI InChI=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+
InChIKey QFINJHBXXJQKPB-QLDBJWRKSA-N
SMILES O1C2C(C(OC(=O)/C(/C)=C\C)CC(=CCC(O)C(=C2)C)C)C(C1=O)=C
ChEBI Ontology
Outgoing 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 Xrefs Databases
35014202 ChemSpider
HMDB0036690 HMDB
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