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CHEBI:214880 - Nemanilactone B

ChEBI IDCHEBI:214880
ChEBI NameNemanilactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O6
Net Charge0
Average Mass306.314
Monoisotopic Mass306.11034
SMILESC/C=C/[C@]1(C(C)/C=C2\OC(=O)C(O)=C2C)OC(=O)C(O)=C1C
InChIInChI=1S/C16H18O6/c1-5-6-16(10(4)13(18)15(20)22-16)8(2)7-11-9(3)12(17)14(19)21-11/h5-8,17-18H,1-4H3/b6-5+,11-7-/t8?,16-/m1/s1
InChIKeyNSRXVOHWZMHZHS-MKILQFHESA-N
Species of MetaboliteComponentSourceComments
Nemania serpens (ncbitaxon:109381) - PubMed (28441516)
ChEBI Ontology
Outgoing Relation(s)
Nemanilactone B (CHEBI:214880) is a butenolide (CHEBI:50523)
IUPAC Name 
(5R)-3-hydroxy-5-[(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
78443461ChemSpider