Benzoic acid, 3,4,5-trihydroxy-, 2,2′,2′′-tris(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-5,5′,5′′,7,7′,7′′-hexahydroxy[4,6′:4′,8′′-ter-2H-1-benzopyran]-3,3′,3′′-triyl ester, [2R-[2α,3α,4β[2′R*,3′R*,4′S*(2′′R*,3′′R*)]]]-

Other Names and Identifiers

InChI

InChI=1S/C66H50O30/c67-27-16-36(75)48-45(17-27)91-59(22-2-5-30(69)34(73)8-22)62(95-65(89)25-12-41(80)55(85)42(81)13-25)52(48)49-38(77)20-46-51(57(49)87)53(63(60(92-46)23-3-6-31(70)35(74)9-23)96-66(90)26-14-43(82)56(86)44(83)15-26)50-37(76)19-32(71)28-18-47(93-64(88)24-10-39(78)54(84)40(79)11-24)58(94-61(28)50)21-1-4-29(68)33(72)7-21/h1-17,19-20,47,52-53,58-60,62-63,67-87H,18H2

InChIKey

InChIKey=MHDUITHKUVVZLK-UHFFFAOYSA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)C2C(C=3C(OC2C4=CC(O)=C(O)C=C4)=CC(O)=C(C3O)C5C(OC(=O)C6=CC(O)=C(O)C(O)=C6)C(OC=7C5=C(O)C=C(O)C7)C8=CC(O)=C(O)C=C8)C9=C%10C(CC(OC(=O)C%11=CC(O)=C(O)C(O)=C%11)C(O%10)C%12=CC(O)=C(O)C=C%12)=C(O)C=C9O

Canonical SMILES

O=C(OC1CC2=C(O)C=C(O)C(=C2OC1C3=CC=C(O)C(O)=C3)C4C5=C(O)C(=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C4OC(=O)C7=CC(O)=C(O)C(O)=C7)C8C=9C(O)=CC(O)=CC9OC(C%10=CC=C(O)C(O)=C%10)C8OC(=O)C%11=CC(O)=C(O)C(O)=C%11)C%12=CC(O)=C(O)C(O)=C%12

Other Names for this Substance