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CHEBI:212472 - 7alpha-acetoxymultiplolide A

Default Structure
ChEBI IDCHEBI:212472
ChEBI Name7alpha-acetoxymultiplolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O6
Net Charge0
Average Mass256.254
Monoisotopic Mass256.09469
SMILESCC(=O)O[C@H]1/C=C/[C@@H]2O[C@@H]2C(=O)O[C@H](C)C[C@H]1O
InChIInChI=1S/C12H16O6/c1-6-5-8(14)9(17-7(2)13)3-4-10-11(18-10)12(15)16-6/h3-4,6,8-11,14H,5H2,1-2H3/b4-3+/t6-,8-,9+,10+,11+/m1/s1
InChIKeyFGKZKXGAWZPSOJ-LQZLSNOLSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - PubMed (18336005)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
7alpha-acetoxymultiplolide A (CHEBI:212472) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
[(1S,4R,6R,7S,8E,10S)-6-hydroxy-4-methyl-2-oxo-3,11-dioxabicyclo[8.1.0]undec-8-en-7-yl] acetate
Manual XrefsDatabases
24685807ChemSpider