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CHEBI:206736 - Botcinin D

ChEBI IDCHEBI:206736
ChEBI NameBotcinin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O6
Net Charge0
Average Mass366.454
Monoisotopic Mass366.20424
SMILESCCCC[C@H](O)/C=C/C(=O)O[C@@H]1[C@@H](C)[C@@H]2OC(=O)C(C)=C[C@@]2(C)O[C@H]1C
InChIInChI=1S/C20H30O6/c1-6-7-8-15(21)9-10-16(22)24-17-13(3)18-20(5,26-14(17)4)11-12(2)19(23)25-18/h9-11,13-15,17-18,21H,6-8H2,1-5H3/b10-9+/t13-,14+,15+,17-,18+,20-/m1/s1
InChIKeyQJUKURZOKSVYNB-QMYRPDPQSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - PubMed (16378371)
ChEBI Ontology
Outgoing Relation(s)
Botcinin D (CHEBI:206736) is a pyranone (CHEBI:37963)
IUPAC Name 
[(4aR,6S,7R,8R,8aS)-3,4a,6,8-tetramethyl-2-oxo-6,7,8,8a-tetrahydropyrano[3,2-b]pyran-7-yl] (E,4S)-4-hydroxyoct-2-enoate
Manual XrefsDatabases
9821057ChemSpider