CHEBI:228951 - 15,16-Epoxy-5,10-seco-clerodan-1(10),2,4,13(16),14-pentaen-18,19-olide

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ChEBI Name 15,16-Epoxy-5,10-seco-clerodan-1(10),2,4,13(16),14-pentaen-18,19-olide
ChEBI ID CHEBI:228951
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H24O3
Net Charge 0
Average Mass 312.409
Monoisotopic Mass 312.17254
InChI InChI=1S/C20H24O3/c1-15-6-7-17-14-23-19(21)18(17)5-3-4-10-20(15,2)11-8-16-9-12-22-13-16/h3-5,9-10,12-13,15H,6-8,11,14H2,1-2H3/b5-3-,10-4+/t15-,20+/m1/s1
InChIKey YOTWCVLUMOQAFC-CIGQNIJYSA-N
SMILES O1CC=2CC[C@H]([C@@](CCC=3C=COC3)(C)C=CC=CC2C1=O)C
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing 15,16-Epoxy-5,10-seco-clerodan-1(10),2,4,13(16),14-pentaen-18,19-olide (CHEBI:228951) is a butenolide (CHEBI:50523)
IUPAC Name
(6R,7S,8E,10Z)-7-[2-(uran-3-yl)ethyl]-6,7-dimethyl-3,4,5,6-tetrahydrocyclodeca[c]uran-1-one
Manual Xref Database
558776 ChemSpider
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