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CHEBI:209539 - 7alpha-Acetoxydehydrobotrydienal

Default Structure
ChEBI IDCHEBI:209539
ChEBI Name7alpha-Acetoxydehydrobotrydienal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O4
Net Charge0
Average Mass288.343
Monoisotopic Mass288.13616
SMILESCC(=O)O[C@@H]1C(C)(C)c2ccc(C)c(C=O)c2[C@@]1(C)C=O
InChIInChI=1S/C17H20O4/c1-10-6-7-13-14(12(10)8-18)17(5,9-19)15(16(13,3)4)21-11(2)20/h6-9,15H,1-5H3/t15-,17-/m1/s1
InChIKeyWSSILCRIAMAUNA-NVXWUHKLSA-N
Species of MetaboliteComponentSourceComments
Daldinia concentrica (ncbitaxon:42361) - PubMed (19160523)
ChEBI Ontology
Outgoing Relation(s)
7alpha-Acetoxydehydrobotrydienal (CHEBI:209539) is a indanes (CHEBI:46940)
IUPAC Name 
[(2R,3R)-3,4-diormyl-1,1,3,5-tetramethyl-2H-inden-2-yl] acetate
Manual XrefsDatabases
78441300ChemSpider