Trapanin b

Structural Information

Molecular Formula

C₁₃₆H₉₈O₈₈

SMILES

C1C2C(C(C(C(O2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)OC7=C(C(=C(C=C7C(=O)OC8C(C9C(COC(=O)C1=CC(=C(C(=C1C1=C(C(=C(C=C1C(=O)O9)OC1=C(C(=C(C=C1C(=O)OC1C(C2C(COC(=O)C3=CC(=C(C(=C3C3=C(C(=C(C=C3C(=O)O2)OC2=C(C(=C(C=C2C(=O)OC2C(C3C(COC(=O)C4=CC(=C(C(=C4C4=C(C(=C(C=C4C(=O)O3)O)O)O)O)O)O)OC2O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O)O)O)O)O)O)OC1O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O)O)O)O)O)O)OC8O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O

InChI

InChI=1S/C136H98O88/c137-42-1-26(2-43(138)75(42)155)117(182)217-109-105-63(209-133(198)113(109)221-121(186)30-9-50(145)79(159)51(146)10-30)22-203-123(188)32-12-53(148)81(161)92(172)68(32)72-36(127(192)214-105)19-60(88(168)96(72)176)206-103-40(17-58(153)86(166)100(103)180)131(196)223-115-111(219-119(184)28-5-46(141)77(157)47(142)6-28)107-65(211-135(115)200)24-205-125(190)34-14-55(150)83(163)94(174)70(34)74-38(129(194)216-107)21-62(90(170)98(74)178)208-104-41(18-59(154)87(167)101(104)181)132(197)224-116-112(220-120(185)29-7-48(143)78(158)49(144)8-29)108-66(212-136(116)201)25-204-124(189)33-13-54(149)82(162)93(173)69(33)73-37(128(193)215-108)20-61(89(169)97(73)177)207-102-39(16-57(152)85(165)99(102)179)130(195)222-114-110(218-118(183)27-3-44(139)76(156)45(140)4-27)106-64(210-134(114)199)23-202-122(187)31-11-52(147)80(160)91(171)67(31)71-35(126(191)213-106)15-56(151)84(164)95(71)175/h1-21,63-66,105-116,133-181,198-201H,22-25H2

InChIKey

QOHOAHBOUVTRTF-UHFFFAOYSA-N

Compound name

[3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[12-[2-[[12-[2-[[3,4,13,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,13,21,22,23-hexahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,13,21,22,23-hexahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-5-yl]oxy]-3,4,5-trihydroxybenzoate

Related CIDs

• CID 16130318