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.
zoom in



OrganismAnogeissus acuminata var. lanceolata
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Lin,Chem.Pharm.Bull.,39,(1991),1144