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CHEBI:197804 - 4beta-acetoxy-9beta-10beta-15alpha-trihydroxyprobotrydial

ChEBI IDCHEBI:197804
ChEBI Name4beta-acetoxy-9beta-10beta-15alpha-trihydroxyprobotrydial
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O5
Net Charge0
Average Mass312.406
Monoisotopic Mass312.19367
SMILESCC(=O)O[C@H]1C[C@@H](C)[C@@H]2[C@@H](O)[C@H](O)[C@@]3(C)CC(C)(C)[C@H]1[C@]23O
InChIInChI=1S/C17H28O5/c1-8-6-10(22-9(2)18)13-15(3,4)7-16(5)14(20)12(19)11(8)17(13,16)21/h8,10-14,19-21H,6-7H2,1-5H3/t8-,10+,11-,12-,13+,14+,16-,17-/m1/s1
InChIKeyXEUSNZUHUUORTO-SJSNFWCWSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - DOI (10.1016/0031-9422(94)00690-u)
ChEBI Ontology
Outgoing Relation(s)
4beta-acetoxy-9beta-10beta-15alpha-trihydroxyprobotrydial (CHEBI:197804) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1R,2R,3R,4R,7R,8S,10R,11R)-2,3,11-trihydroxy-4,6,6,10-tetramethyl-8-tricyclo[5.3.1.04,11]undecanyl] acetate
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24716758ChemSpider