PCIDB

KNApSAcK Metabolite C00049167

Metabolite

KNApSAcK Entry

id C00049167
Name Gleditsioside C / (-)-Gleditsioside C
CAS RN 230302-72-4
Standard InChI InChI=1S/C84H134O42/c1-11-80(7,109)18-12-13-34(25-85)68(107)110-31-42-53(97)56(100)66(125-75-67(124-73-60(104)54(98)51(95)41(26-86)117-73)61(105)63(33(2)116-75)121-71-62(106)64(40(90)30-113-71)122-69-57(101)48(92)37(87)27-111-69)76(119-42)126-77(108)84-22-21-78(3,4)23-36(84)35-14-15-45-81(8)19-17-47(79(5,6)44(81)16-20-82(45,9)83(35,10)24-46(84)91)120-72-59(103)55(99)52(96)43(118-72)32-115-74-65(50(94)39(89)29-114-74)123-70-58(102)49(93)38(88)28-112-70/h11,13-14,33,36-67,69-76,85-106,109H,1,12,15-32H2,2-10H3/b34-13+/t33-,36-,37+,38+,39-,40+,41+,42+,43+,44-,45+,46+,47-,48-,49-,50-,51-,52+,53+,54-,55-,56-,57+,58+,59+,60+,61+,62+,63-,64-,65+,66+,67+,69-,70-,71-,72-,73-,74-,75-,76-,80+,81-,82+,83+,84+/m0/s1
Standard InChI (Main Layer) InChI=1S/C84H134O42/c1-11-80(7,109)18-12-13-34(25-85)68(107)110-31-42-53(97)56(100)66(125-75-67(124-73-60(104)54(98)51(95)41(26-86)117-73)61(105)63(33(2)116-75)121-71-62(106)64(40(90)30-113-71)122-69-57(101)48(92)37(87)27-111-69)76(119-42)126-77(108)84-22-21-78(3,4)23-36(84)35-14-15-45-81(8)19-17-47(79(5,6)44(81)16-20-82(45,9)83(35,10)24-46(84)91)120-72-59(103)55(99)52(96)43(118-72)32-115-74-65(50(94)39(89)29-114-74)123-70-58(102)49(93)38(88)28-112-70/h11,13-14,33,36-67,69-76,85-106,109H,1,12,15-32H2,2-10H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 49

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL408644

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Fabaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Gleditsia sinensis 66096 Fabaceae rosids Viridiplantae