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CHEBI:214824 - Nemanilactone C

ChEBI IDCHEBI:214824
ChEBI NameNemanilactone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O6
Net Charge0
Average Mass306.314
Monoisotopic Mass306.11034
SMILESC/C=C/C1=C(C)C(O)(C(C)/C=C2\OC(=O)C(O)=C2C)C(=O)O1
InChIInChI=1S/C16H18O6/c1-5-6-11-10(4)16(20,15(19)22-11)8(2)7-12-9(3)13(17)14(18)21-12/h5-8,17,20H,1-4H3/b6-5+,12-7-
InChIKeyJEAPGXVBGVXTDF-DFTQQVSXSA-N
Species of MetaboliteComponentSourceComments
Nemania serpens (ncbitaxon:109381) - PubMed (28441516)
ChEBI Ontology
Outgoing Relation(s)
Nemanilactone C (CHEBI:214824) is a butenolide (CHEBI:50523)
IUPAC Name 
3-hydroxy-3-[(1Z)-1-(4-hydroxy-3-methyl-5-oxouran-2-ylidene)propan-2-yl]-4-methyl-5-[(E)-prop-1-enyl]uran-2-one
Manual XrefsDatabases
78436059ChemSpider