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CHEBI:188944 - 6-[(2-{4-[(3-{[4-(acetyloxy)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:188944
ChEBI Name6-[(2-{4-[(3-{[4-(acetyloxy)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H40O20
Net Charge0
Average Mass768.674
Monoisotopic Mass768.21129
SMILESCC(=O)OC1(CO)COC(OC2C(Oc3ccc(C4CC(=O)c5ccc(OC6OC(C(=O)O)C(O)C(O)C6O)cc5O4)cc3)OC(CO)C(O)C2O)C1O
InChIInChI=1S/C34H40O20/c1-13(37)54-34(11-36)12-47-33(29(34)44)53-28-24(41)22(39)21(10-35)51-32(28)48-15-4-2-14(3-5-15)19-9-18(38)17-7-6-16(8-20(17)50-19)49-31-26(43)23(40)25(42)27(52-31)30(45)46/h2-8,19,21-29,31-33,35-36,39-44H,9-12H2,1H3,(H,45,46)
InChIKeyOOGIDZPKFNWDHP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Staphylococcus Aureus (ncbitaxon:1280) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3859)
ChEBI Ontology
Outgoing Relation(s)
6-[(2-{4-[(3-{[4-(acetyloxy)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:188944) is a flavonoids (CHEBI:72544)
6-[(2-{4-[(3-{[4-(acetyloxy)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:188944) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[[2-[4-[3-[4-acetyloxy-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0124931HMDB