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CHEBI:209201 - 3-O-acetylhomobotcinolide

Default Structure
ChEBI IDCHEBI:209201
ChEBI Name3-O-acetylhomobotcinolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O9
Net Charge0
Average Mass472.575
Monoisotopic Mass472.26723
SMILESCCCCCCC(O)C=CC(=O)O[C@@H]1[C@@H](C)[C@H](O)[C@@](C)(O)[C@H](OC(C)=O)[C@@H](C)C(=O)O[C@H]1C
InChIInChI=1S/C24H40O9/c1-7-8-9-10-11-18(26)12-13-19(27)33-20-14(2)21(28)24(6,30)22(32-17(5)25)15(3)23(29)31-16(20)4/h12-16,18,20-22,26,28,30H,7-11H2,1-6H3/t14-,15-,16+,18?,20-,21+,22-,24-/m1/s1
InChIKeyRNADGXHRZMPKTC-WUPSZKOTSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - PubMed (16408965)
ChEBI Ontology
Outgoing Relation(s)
3-O-acetylhomobotcinolide (CHEBI:209201) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[(2S,3R,4S,5S,6R,7R,8R)-7-acetyloxy-5,6-dihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl] 4-hydroxydec-2-enoate