3-[2-[(2-carboxyacetyl)oxymethyl]-4,5-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-chromen-5-yl]oxy-oxan-3-yl]oxy-3-oxo-propanoic acid
Molecular Formula:
C42H41O23+
InChI: InChI=1/C42H40O23/c43-20-6-1-18(2-7-20)3-10-31(50)58-16-27-34(53)35(54)37(56)41(63-27)62-26-13-23-24(60-39(26)19-4-8-21(44)9-5-19)11-22(45)12-25(23)61-42-38(57)36(55)40(65-33(52)15-30(48)49)28(64-42)17-59-32(51)14-29(46)47/h1-13,27-28,34-38,40-42,53-57H,14-17H2,(H4-,43,44,45,46,47,48,49,50)/p+1/fC42H41O23/h43-46,48H/q+1
InChIKey: InChIKey=HOQNHEQPPFYHLF-AXZDGKGCCZ
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)OC(=O)CC(=O)O)O)O)O)C6=CC=C(C=C6)O)O)O)O)O
Names:
3-[2-[(2-carboxyacetyl)oxymethyl]-4,5-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-chromen-5-yl]oxy-oxan-3-yl]oxy-3-oxo-propanoic acid
Registries:
PubChem CID 4482008
PubChem ID 6603581
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