PCIDB

KNApSAcK Metabolite C00009343

Metabolite

KNApSAcK Entry

id C00009343
Name Anogeissusin A
CAS RN 161161-61-1
Standard InChI InChI=1S/C97H62O56/c98-20-2-1-13(3-22(20)100)80-29(107)4-14-21(99)10-23(101)37(81(14)147-80)48-45-53-43(70(123)78(131)72(45)125)41-51-39(66(119)75(128)68(41)121)35-18(8-27(105)58(111)63(35)116)90(135)146-31-12-144-93(138)50-38(36-19(9-28(106)59(112)64(36)117)92(137)149-83(31)86(152-96(51)141)84(48)150-94(53)139)65(118)77(130)73(126)46(50)49-47-54-44(71(124)79(132)74(47)127)42-52-40(67(120)76(129)69(42)122)34-17(7-26(104)57(110)62(34)115)89(134)145-30-11-143-88(133)15-5-24(102)55(108)60(113)32(15)33-16(6-25(103)56(109)61(33)114)91(136)148-82(30)87(153-97(52)142)85(49)151-95(54)140/h1-3,5-10,29-31,48-49,80,82-87,98-132H,4,11-12H2/t29-,30+,31+,48-,49-,80+,82+,83+,84-,85-,86-,87-/m0/s1
Standard InChI (Main Layer) InChI=1S/C97H62O56/c98-20-2-1-13(3-22(20)100)80-29(107)4-14-21(99)10-23(101)37(81(14)147-80)48-45-53-43(70(123)78(131)72(45)125)41-51-39(66(119)75(128)68(41)121)35-18(8-27(105)58(111)63(35)116)90(135)146-31-12-144-93(138)50-38(36-19(9-28(106)59(112)64(36)117)92(137)149-83(31)86(152-96(51)141)84(48)150-94(53)139)65(118)77(130)73(126)46(50)49-47-54-44(71(124)79(132)74(47)127)42-52-40(67(120)76(129)69(42)122)34-17(7-26(104)57(110)62(34)115)89(134)145-30-11-143-88(133)15-5-24(102)55(108)60(113)32(15)33-16(6-25(103)56(109)61(33)114)91(136)148-82(30)87(153-97(52)142)85(49)151-95(54)140/h1-3,5-10,29-31,48-49,80,82-87,98-132H,4,11-12H2

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