3-oxo-3-[[3,4,5-trihydroxy-6-[7-hydroxy-3-[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-5-yl]oxy-oxan-2-yl]methoxy]propanoic acid
Molecular Formula:
C39H39O22+
InChI: InChI=1/C39H38O22/c40-17-4-1-15(2-5-17)3-6-28(46)55-13-25-31(49)34(52)36(54)39(61-25)59-24-11-19-22(57-37(24)16-7-20(42)30(48)21(43)8-16)9-18(41)10-23(19)58-38-35(53)33(51)32(50)26(60-38)14-56-29(47)12-27(44)45/h1-11,25-26,31-36,38-39,49-54H,12-14H2,(H5-,40,41,42,43,44,45,46,48)/p+1/fC39H39O22/h40-44,48H/q+1
InChIKey: InChIKey=LXITVYYZHYMDFB-DEMCMFOUCE
SMILES: C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O
Names:
3-oxo-3-[[3,4,5-trihydroxy-6-[7-hydroxy-3-[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-5-yl]oxy-oxan-2-yl]methoxy]propanoic acid
Registries:
PubChem CID 4481622
PubChem ID 6603175
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