CHEBI:174324 - (1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide

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ChEBI Name (1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide
ChEBI ID CHEBI:174324
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H26O4
Net Charge 0
Average Mass 318.413
Monoisotopic Mass 318.18311
InChI InChI=1S/C19H26O4/c1-11(2)18(20)22-16-10-15-14(5)19(21)23-17(15)9-12(3)7-6-8-13(16)4/h8-9,11,15-17H,5-7,10H2,1-4H3/b12-9+,13-8+
InChIKey XXAILDIUKGAZIM-GHEQENTPSA-N
SMILES O1C2C(CC(OC(=O)C(C)C)C(=CCCC(=C2)C)C)C(C1=O)=C
ChEBI Ontology
Outgoing (1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide (CHEBI:174324) is a germacranolide (CHEBI:73011)
IUPAC Name
[(6E,10E)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]uran-5-yl] 2-methylpropanoate
Manual Xrefs Databases
35013352 ChemSpider
HMDB0031373 HMDB
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