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CHEBI:212293 - Ananatoside A

ChEBI IDCHEBI:212293
ChEBI NameAnanatoside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H46O9
Net Charge0
Average Mass502.645
Monoisotopic Mass502.31418
SMILESCCCCCCC[C@@H]1CC(=O)OC[C@H]2O[C@@H](O[C@H](CCCCCCC)CC(=O)O1)[C@H](O)[C@@H](O)[C@@H]2O
InChIInChI=1S/C26H46O9/c1-3-5-7-9-11-13-18-15-21(27)32-17-20-23(29)24(30)25(31)26(35-20)34-19(16-22(28)33-18)14-12-10-8-6-4-2/h18-20,23-26,29-31H,3-17H2,1-2H3/t18-,19-,20-,23-,24+,25-,26-/m1/s1
InChIKeyQWQCOOPIGZDEDP-VAOOWHSSSA-N
Species of MetaboliteComponentSourceComments
Pantoea ananatis (ncbitaxon:553) - PubMed (30408718)
ChEBI Ontology
Outgoing Relation(s)
Ananatoside A (CHEBI:212293) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(1R,3R,7R,12R,13S,14S,15R)-3,7-diheptyl-13,14,15-trihydroxy-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-5,9-dione