Botcinin H (CHEBI:221661)

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CHEBI:221661 - Botcinin H

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ChEBI ID	CHEBI:221661
ChEBI Name	Botcinin H
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Submitter	MetaboLights
Downloads	Molfile

Formula	C14H22O6
Net Charge	0
Average Mass	286.324
Monoisotopic Mass	286.14164
SMILES	CC(=O)O[C@H]1[C@@H](C)C(=O)O[C@H]2[C@H](C)[C@@H](O)[C@H](C)O[C@@]21C
InChI	InChI=1S/C14H22O6/c1-6-10(16)8(3)20-14(5)11(6)19-13(17)7(2)12(14)18-9(4)15/h6-8,10-12,16H,1-5H3/t6-,7-,8+,10-,11+,12+,14+/m1/s1
InChIKey	LWOSIIPXAIJGAY-XXVCXOIQSA-N

Species of Metabolite	Component	Source	Comments
Botrytis cinerea B05.10 (ncbitaxon:332648)	-	PubMed (33429353)

ChEBI Ontology

Outgoing Relation(s)
	Botcinin H (CHEBI:221661) is a δ-lactone (CHEBI:18946)

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

Manual Xrefs	Databases
9704129	ChemSpider