input word = C00009344

Metabolite InformationStructural formula
Name Anogeissusin B
Formula C97H62O57
Mw 2138.19528545
CAS RN 161161-62-2
C_ID C00009344 ,
InChIKey WIDDOALTJRLESQ-PXYYWATKNA-N
InChICode InChI=1S/C97H62O57/c98-19-9-20(99)36(81-13(19)3-28(107)80(148-81)12-1-21(100)54(108)22(101)2-12)47-44-52-42(70(124)78(132)72(44)126)40-50-38(66(120)75(129)68(40)122)34-17(7-26(105)58(112)63(34)117)90(136)147-30-11-145-93(139)49-37(35-18(8-27(106)59(113)64(35)118)92(138)150-83(30)86(153-96(50)142)84(47)151-94(52)140)65(119)77(131)73(127)45(49)48-46-53-43(71(125)79(133)74(46)128)41-51-39(67(121)76(130)69(41)123)33-16(6-25(104)57(111)62(33)116)89(135)146-29-10-144-88(134)14-4-23(102)55(109)60(114)31(14)32-15(5-24(103)56(110)61(32)115)91(137)149-82(29)87(154-97(51)143)85(48)152-95(53)141/h1-2,4-9,28-30,47-48,80,82-87,98-133H,3,10-11H2/t28-,29-,30-,47+,48+,80-,82-,83-,84+,85?,86+,87+/m1/s1
SMILES c1(c(c(c2c(c1)C(=O)O[C@@H]1[C@@H](COC(=O)c3cc(c(c(c23)O)O)O)OC(=O)c2cc(c(c(c2c2c(c(c(c3c2C(=O)O[C@@H]1[C@H]1OC(=O)c2c3c(c(c(c2[C@@H]1c1c(c(c(c2c3c(c(c(cc3C(=O)O[C@@H]3[C@@H](COC(=O)c12)OC(=O)c1cc(c(c(c1c1c(c(c(c2c1C(=O)O[C@@H]3[C@H]1OC(=O)c3c2c(c(c(c3[C@@H]1c1c(cc(c2c1O[C@@H]([C@@H](C2)O)c1cc(c(c(c1)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeAnogeissus acuminata var. lanceolata Ref.
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