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CHEBI:221669 - Botcinin J

Default Structure
ChEBI IDCHEBI:221669
ChEBI NameBotcinin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O8
Net Charge0
Average Mass452.544
Monoisotopic Mass452.24102
SMILESCCCCCCC(=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/C24H36O8/c1-7-8-9-10-11-18(26)12-13-19(27)30-20-14(2)21-24(6,32-16(20)4)22(29-17(5)25)15(3)23(28)31-21/h12-16,20-22H,7-11H2,1-6H3/b13-12-/t14-,15-,16+,20-,21+,22+,24+/m1/s1
InChIKeyAPUBABVWPWTDAH-WNDXRWKZSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea B05.10 (ncbitaxon:332648) - PubMed (33429353)
ChEBI Ontology
Outgoing Relation(s)
Botcinin J (CHEBI:221669) is a carbonyl compound (CHEBI:36586)