[[5-[dodecahydroxy(tetraoxo)[?]yl]oxycarbonyl-2,3-dihydroxy-phenoxy]-undecahydroxy-tetraoxo-[?]yl] 3,4,5-trihydroxybenzoate

Structural Information

Molecular Formula

C₈₂H₅₄O₅₁

SMILES

C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)OC5=C(C(=C6C(=C5)C(=O)OC7C(COC(=O)C8=CC(=C(C(=C86)O)O)O)OC(C9C7OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O9)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O3)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O

InChI

InChI=1S/C82H54O51/c83-25-1-15(2-26(84)47(25)93)71(111)132-81-69-68(129-77(117)21-9-32(90)53(99)61(107)43(21)44-22(78(118)130-69)10-33(91)54(100)62(44)108)66-38(124-81)14-122-74(114)18-6-29(87)50(96)58(104)40(18)46-24(80(120)127-66)12-36(56(102)64(46)110)123-35-4-16(3-27(85)48(35)94)72(112)133-82-70-67(128-76(116)20-8-31(89)52(98)60(106)42(20)45-23(79(119)131-70)11-34(92)55(101)63(45)109)65-37(125-82)13-121-73(113)17-5-28(86)49(95)57(103)39(17)41-19(75(115)126-65)7-30(88)51(97)59(41)105/h1-12,37-38,65-70,81-110H,13-14H2

InChIKey

BJQOZNHFKKADKV-UHFFFAOYSA-N

Compound name

[35-[5-[(7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl)oxycarbonyl]-2,3-dihydroxyphenoxy]-7,8,9,12,13,14,28,29,30,33,34-undecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] 3,4,5-trihydroxybenzoate

Related CIDs

• CID 16197549