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CHEBI:181086 - Ovalicine subst.

ChEBI IDCHEBI:181086
ChEBI NameOvalicine subst.
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O5
Net Charge0
Average Mass296.363
Monoisotopic Mass296.16237
SMILESCOC1C(=O)CCC2(CO2)C1(O)C1(C)OC1CC=C(C)C
InChIInChI=1S/C16H24O5/c1-10(2)5-6-12-14(3,21-12)16(18)13(19-4)11(17)7-8-15(16)9-20-15/h5,12-13,18H,6-9H2,1-4H3
InChIKeyNESRXFGQJARQNM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ovalicine subst. (CHEBI:181086) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
4-hydroxy-5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-one
Manual XrefsDatabases
251178ChemSpider
HMDB0038120HMDB