Botcinin C (CHEBI:201276)

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CHEBI:201276 - Botcinin C

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ChEBI ID	CHEBI:201276
ChEBI Name	Botcinin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H38O8
Net Charge	0
Average Mass	454.560
Monoisotopic Mass	454.25667
SMILES	CCCCCC[C@H](O)/C=C/C(=O)O[C@@H]1[C@@H](C)[C@@H]2OC(=O)[C@@H](C)[C@H](OC(C)=O)[C@@]2(C)O[C@H]1C
InChI	InChI=1S/C24H38O8/c1-7-8-9-10-11-18(26)12-13-19(27)30-20-14(2)21-24(6,32-16(20)4)22(29-17(5)25)15(3)23(28)31-21/h12-16,18,20-22,26H,7-11H2,1-6H3/b13-12+/t14-,15+,16+,18+,20-,21+,22+,24+/m1/s1
InChIKey	ZLZXAWHFKFHHNF-MLIBADTPSA-N

Species of Metabolite	Component	Source	Comments
Botrytis cinerea (ncbitaxon:40559)	-	PubMed (16378371)

ChEBI Ontology

Outgoing Relation(s)
	Botcinin C (CHEBI:201276) is a carbonyl compound (CHEBI:36586)

IUPAC Name
[(2S,3R,4R,4aS,7S,8S,8aS)-8-acetyloxy-2,4,7,8a-tetramethyl-6-oxo-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-3-yl] (E,4S)-4-hydroxydec-2-enoate

Manual Xrefs	Databases
9879873	ChemSpider