8,9-epibotrydial (CHEBI:216296)

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CHEBI:216296 - 8,9-epibotrydial

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ChEBI ID	CHEBI:216296
ChEBI Name	8,9-epibotrydial
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H26O5
Net Charge	0
Average Mass	310.390
Monoisotopic Mass	310.17802
SMILES	CC(=O)O[C@H]1C[C@@H](C)[C@H](C=O)[C@]2(O)[C@@H]1C(C)(C)C[C@@]2(C)C=O
InChI	InChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12+,13+,14+,16+,17+/m1/s1
InChIKey	SJFIYVCSGNWVPJ-PQVRDHEWSA-N

Species of Metabolite	Component	Source	Comments
Botrytis cinerea (ncbitaxon:40559)	-	DOI (10.1016/0006-2952(75)90029-5)

ChEBI Ontology

Outgoing Relation(s)
	8,9-epibotrydial (CHEBI:216296) is a iridoid monoterpenoid (CHEBI:50563)

IUPAC Name
[(1R,3aR,4S,6R,7S,7aR)-1,7-diormyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] acetate

Manual Xrefs	Databases
8646059	ChemSpider