PCIDB

KNApSAcK Metabolite C00009344

Metabolite

KNApSAcK Entry

id C00009344
Name Anogeissusin B
CAS RN 161161-62-2
Standard InChI 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-/m0/s1
Standard InChI (Main Layer) 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

Cluster

Phytochemical cluster
KCF-S cluster No. 457

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Combretaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Anogeissus acuminata var. lanceolata 155019 Combretaceae rosids Viridiplantae