input word = C00009342

Metabolite InformationStructural formula
Name Anogeissinin
Formula C97H62O56
Mw 2122.20037083
CAS RN 161205-68-1
C_ID C00009342 ,
InChIKey NFOLCBPYGPRIFP-MDSGSIDJNA-N
InChICode InChI=1S/C97H62O56/c98-21-2-1-13(3-22(21)99)80-29(106)10-20-54(107)52(46-44-50-42(72(125)78(131)74(44)127)40-48-38(68(121)76(129)70(40)123)36-18(8-27(104)59(112)66(36)119)90(135)145-30-11-143-88(133)14-4-23(100)55(108)62(115)32(14)34-16(6-25(102)57(110)64(34)117)92(137)148-82(30)86(152-96(48)141)84(46)150-94(50)139)61(114)53(81(20)147-80)47-45-51-43(73(126)79(132)75(45)128)41-49-39(69(122)77(130)71(41)124)37-19(9-28(105)60(113)67(37)120)91(136)146-31-12-144-89(134)15-5-24(101)56(109)63(116)33(15)35-17(7-26(103)58(111)65(35)118)93(138)149-83(31)87(153-97(49)142)85(47)151-95(51)140/h1-9,29-31,46-47,80,82-87,98-132H,10-12H2/t29-,30-,31-,46-,47-,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(c2c1O[C@@H]([C@@H](C2)O)c1ccc(c(c1)O)O)O)[C@@H]1[C@H]2[C@@H]3[C@H]4[C@@H](COC(=O)c5cc(c(c(c5c5c(c(c(cc5C(=O)O4)O)O)O)O)O)O)OC(=O)c4cc(c(c(c4c4c(c(c(c(c4C(=O)O3)c3c(c(c(c1c3C(=O)O2)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