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CHEBI:202792 - 7alpha-Acetoxydeacetylbotryenedial

ChEBI IDCHEBI:202792
ChEBI Name7alpha-Acetoxydeacetylbotryenedial
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O5
Net Charge0
Average Mass308.374
Monoisotopic Mass308.16237
SMILESCC(=O)O[C@@H]1C(C)(C)[C@H]2C(=C(C=O)[C@H](C)C[C@@H]2O)[C@@]1(C)C=O
InChIInChI=1S/C17H24O5/c1-9-6-12(21)14-13(11(9)7-18)17(5,8-19)15(16(14,3)4)22-10(2)20/h7-9,12,14-15,21H,6H2,1-5H3/t9-,12+,14-,15-,17-/m1/s1
InChIKeyLOZDGOGEQSPGNS-RTNSRKOKSA-N
Species of MetaboliteComponentSourceComments
Daldinia concentrica (ncbitaxon:42361) - PubMed (19160523)
ChEBI Ontology
Outgoing Relation(s)
7alpha-Acetoxydeacetylbotryenedial (CHEBI:202792) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(1R,2R,3aR,4S,6R)-1,7-diormyl-4-hydroxy-1,3,3,6-tetramethyl-3a,4,5,6-tetrahydro-2H-inden-2-yl] acetate
Manual XrefsDatabases
78440910ChemSpider