Biverlactone B (CHEBI:207822)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:207822 - Biverlactone B

Take structure to advanced search

ChEBI ID	CHEBI:207822
ChEBI Name	Biverlactone B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H30O5
Net Charge	0
Average Mass	338.444
Monoisotopic Mass	338.20932
SMILES	CCCCCCC(C)/C=C(\C)[C@H]1OC(=O)/C(=C\CC(=O)O)C[C@@H]1O
InChI	InChI=1S/C19H30O5/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/h9,11,13,16,18,20H,4-8,10,12H2,1-3H3,(H,21,22)/b14-11+,15-9-/t13?,16-,18+/m0/s1
InChIKey	XMARGTUPGWFYOK-WGUFFWDHSA-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 B (CHEBI:207822) is a δ-lactone (CHEBI:18946)

IUPAC Name
(3Z)-3-[(5S,6R)-5-hydroxy-6-[(E)-4-methyldec-2-en-2-yl]-2-oxooxan-3-ylidene]propanoic acid

Manual Xrefs	Databases
78437899	ChemSpider