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CHEBI:203577 - Botcinin E

ChEBI IDCHEBI:203577
ChEBI NameBotcinin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O7
Net Charge0
Average Mass384.469
Monoisotopic Mass384.21480
SMILESCCCC[C@H](O)/C=C/C(=O)O[C@@H]1[C@@H](C)[C@@H]2OC(=O)[C@H](C)[C@H](O)[C@@]2(C)O[C@H]1C
InChIInChI=1S/C20H32O7/c1-6-7-8-14(21)9-10-15(22)25-16-11(2)18-20(5,27-13(16)4)17(23)12(3)19(24)26-18/h9-14,16-18,21,23H,6-8H2,1-5H3/b10-9+/t11-,12-,13+,14+,16-,17+,18+,20-/m1/s1
InChIKeyNTXBEGLMBLTXSP-OSOLHDLVSA-N
Species of MetaboliteComponentSourceComments
Botrytis (ncbitaxon:33196) - PubMed (16643065)
ChEBI Ontology
Outgoing Relation(s)
Botcinin E (CHEBI:203577) is a δ-lactone (CHEBI:18946)
IUPAC Name 
[(2S,3R,4R,4aS,7R,8S,8aR)-8-hydroxy-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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9741945ChemSpider