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CHEBI:226531 - 8-methylhomobotcinolide

ChEBI IDCHEBI:226531
ChEBI Name8-methylhomobotcinolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H40O8
Net Charge0
Average Mass444.565
Monoisotopic Mass444.27232
SMILESCCCCCCC(O)C=CC(=O)O[C@@H]1[C@@H](C)[C@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)OC1(C)C
InChIInChI=1S/C23H40O8/c1-7-8-9-10-11-16(24)12-13-17(25)30-20-14(2)18(26)23(6,29)19(27)15(3)21(28)31-22(20,4)5/h12-16,18-20,24,26-27,29H,7-11H2,1-6H3/t14-,15+,16?,18-,19+,20+,23+/m0/s1
InChIKeySARSXWQMUBQWIQ-MSMLNGQISA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - PubMed (16408965)
ChEBI Ontology
Outgoing Relation(s)
8-methylhomobotcinolide (CHEBI:226531) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
[(3R,4S,5S,6R,7R,8R)-5,6,7-trihydroxy-2,2,4,6,8-pentamethyl-9-oxooxonan-3-yl] 4-hydroxydec-2-enoate