Biverlactone A (CHEBI:204306)

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CHEBI:204306 - Biverlactone A

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ChEBI ID	CHEBI:204306
ChEBI Name	Biverlactone A
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Submitter	MetaboLights
Downloads	Molfile

Formula	C19H28O5
Net Charge	0
Average Mass	336.428
Monoisotopic Mass	336.19367
SMILES	CCCCCCC(C)/C=C(\C)[C@H]1OC(=O)C(/C=C/C(=O)O)=C[C@@H]1O
InChI	InChI=1S/C19H28O5/c1-4-5-6-7-8-13(2)11-14(3)18-16(20)12-15(19(23)24-18)9-10-17(21)22/h9-13,16,18,20H,4-8H2,1-3H3,(H,21,22)/b10-9+,14-11+/t13?,16-,18+/m0/s1
InChIKey	AYPWQBGGCFOXOX-OYEVXZPRSA-N

Species of Metabolite	Component	Source	Comments
Penicilliumspecies FKI-4429 (ncbitaxon:741178)	-	DOI (10.1016/j.tet.2011.05.061)

ChEBI Ontology

Outgoing Relation(s)
	Biverlactone A (CHEBI:204306) is a pyranone (CHEBI:37963)

IUPAC Name
(E)-3-[(2R,3S)-3-hydroxy-2-[(E)-4-methyldec-2-en-2-yl]-6-oxo-2,3-dihydropyran-5-yl]prop-2-enoic acid

Manual Xrefs	Databases
78437120	ChemSpider