ChEBI

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 Name 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 ID CHEBI:184553 Stars This entity has been manually annotated by a third party. Submitter MetaboLights Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H30O20 Net Charge 0 Average Mass 710.550 Monoisotopic Mass 710.13304 InChI InChI=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) InChIKey PSWPFYAJNBNDAX-UHFFFAOYSA-N SMILES O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)COC(=O)CC(OC5OC(C(O)C(O)C5O)C(O)=O)=O Metabolite of Species Details Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study ChEBI Ontology Outgoing 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 Xref Database HMDB0127475 HMDB View more database links