Botcinolide (CHEBI:203265)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203265 - Botcinolide

Take structure to advanced search

ChEBI ID	CHEBI:203265
ChEBI Name	Botcinolide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H34O8
Net Charge	0
Average Mass	402.484
Monoisotopic Mass	402.22537
SMILES	CCCCC(O)/C=C/C(=O)O[C@@H]1[C@@H](C)[C@H](O)[C@@](C)(O)[C@@H](O)[C@@H](C)C(=O)O[C@H]1C
InChI	InChI=1S/C20H34O8/c1-6-7-8-14(21)9-10-15(22)28-16-11(2)17(23)20(5,26)18(24)12(3)19(25)27-13(16)4/h9-14,16-18,21,23-24,26H,6-8H2,1-5H3/b10-9+/t11-,12-,13+,14?,16-,17+,18+,20-/m1/s1
InChIKey	YFWCDPYMHQAWJE-PZLDCHGPSA-N

Species of Metabolite	Component	Source	Comments
Botrytis cinerea (ncbitaxon:40559)	-	DOI (10.1271/bbb.57.1980)

ChEBI Ontology

Outgoing Relation(s)
	Botcinolide (CHEBI:203265) is a fatty acid ester (CHEBI:35748)

IUPAC Name
[(2S,3R,4S,5S,6R,7S,8R)-5,6,7-trihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl] (E)-4-hydroxyoct-2-enoate

Manual Xrefs	Databases
78439655	ChemSpider