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CHEBI:207716 - 2-epi-botcinin A

Default Structure
ChEBI IDCHEBI:207716
ChEBI Name2-epi-botcinin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O8
Net Charge0
Average Mass426.506
Monoisotopic Mass426.22537
SMILESCCCC[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
InChIInChI=1S/C22H34O8/c1-7-8-9-16(24)10-11-17(25)28-18-12(2)19-22(6,30-14(18)4)20(27-15(5)23)13(3)21(26)29-19/h10-14,16,18-20,24H,7-9H2,1-6H3/b11-10+/t12-,13+,14+,16+,18-,19+,20+,22+/m1/s1
InChIKeyWLRQVOMHDQWLIH-HODZHOMQSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - PubMed (17928694)
ChEBI Ontology
Outgoing Relation(s)
2-epi-botcinin A (CHEBI:207716) 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-hydroxyoct-2-enoate
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28284536ChemSpider