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CHEBI:185709 - Haploside A

ChEBI IDCHEBI:185709
ChEBI NameHaploside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O14
Net Charge0
Average Mass536.442
Monoisotopic Mass536.11661
SMILESCOc1cc(-c2oc3c(O)c(O[C@@H]4OC(COC(C)=O)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O)ccc1O
InChIInChI=1S/C24H24O14/c1-8(25)35-7-14-16(28)19(31)21(33)24(37-14)36-13-6-11(27)15-18(30)20(32)22(38-23(15)17(13)29)9-3-4-10(26)12(5-9)34-2/h3-6,14,16,19,21,24,26-29,31-33H,7H2,1-2H3/t14?,16-,19+,21?,24-/m1/s1
InChIKeyJEXCKOGBYYLXKD-QZEDXALLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Haploside A (CHEBI:185709) is a flavonoids (CHEBI:72544)
Haploside A (CHEBI:185709) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4S,6S)-3,4,5-trihydroxy-6-[3,5,8-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
24845744ChemSpider
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