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CHEBI:223946 - Biverlactone D

ChEBI IDCHEBI:223946
ChEBI NameBiverlactone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O5
Net Charge0
Average Mass338.444
Monoisotopic Mass338.20932
SMILESCCCCCCC(C)/C=C(\C)[C@H](O)[C@H]1C/C(=C/CC(=O)O)C(=O)O1
InChIInChI=1S/C19H30O5/c1-4-5-6-7-8-13(2)11-14(3)18(22)16-12-15(19(23)24-16)9-10-17(20)21/h9,11,13,16,18,22H,4-8,10,12H2,1-3H3,(H,20,21)/b14-11+,15-9-/t13?,16-,18+/m1/s1
InChIKeyNNWCGBORNRHSIQ-JBCOBXOYSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies FKI-4429 (ncbitaxon:741178) - DOI (10.1016/j.tet.2011.05.061)
ChEBI Ontology
Outgoing Relation(s)
Biverlactone D (CHEBI:223946) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(3Z)-3-[(5R)-5-[(E,1S)-1-hydroxy-2,4-dimethyldec-2-enyl]-2-oxooxolan-3-ylidene]propanoic acid
Manual XrefsDatabases
78438273ChemSpider