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CHEBI:184855 - 6-[4-(5,7-dihydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-4-oxo-4H-chromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:184855
ChEBI Name6-[4-(5,7-dihydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-4-oxo-4H-chromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H36O19
Net Charge0
Average Mass736.632
Monoisotopic Mass736.18508
SMILESCC1OC(c2c(O)cc3oc(-c4ccc(OC5OC(C(=O)O)C(O)C(O)C5O)cc4)cc(=O)c3c2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1=O
InChIInChI=1S/C33H36O19/c1-9-20(37)24(41)29(51-32-26(43)22(39)19(36)10(2)48-32)28(47-9)18-14(35)8-16-17(21(18)38)13(34)7-15(50-16)11-3-5-12(6-4-11)49-33-27(44)23(40)25(42)30(52-33)31(45)46/h3-10,19,22-30,32-33,35-36,38-44H,1-2H3,(H,45,46)
InChIKeyABNJYLJKEJYEHP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
6-[4-(5,7-dihydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-4-oxo-4H-chromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184855) is a flavonoids (CHEBI:72544)
6-[4-(5,7-dihydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-4-oxo-4H-chromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184855) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
6-[4-[5,7-dihydroxy-6-[4-hydroxy-6-methyl-5-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-4-oxochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0127342HMDB