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CHEBI:184553 - 6-({3-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:184553
ChEBI Name6-({3-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H30O20
Net Charge0
Average Mass710.550
Monoisotopic Mass710.13304
SMILESO=C(CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O
InChIInChI=1S/C30H30O20/c31-10-3-1-9(2-4-10)25-26(19(37)17-12(33)5-11(32)6-13(17)46-25)49-29-23(41)20(38)18(36)14(47-29)8-45-15(34)7-16(35)48-30-24(42)21(39)22(40)27(50-30)28(43)44/h1-6,14,18,20-24,27,29-33,36,38-42H,7-8H2,(H,43,44)
InChIKeyPSWPFYAJNBNDAX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
6-({3-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184553) is a flavonoids (CHEBI:72544)
6-({3-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184553) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[3-[[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0127475HMDB