PCIDB

KNApSAcK Metabolite C00044560

Metabolite

KNApSAcK Entry

id C00044560
Name Atroximasaponin G1
CAS RN 610272-77-0
Standard InChI InChI=1S/C63H92O27/c1-28-40(70)42(72)44(74)51(83-28)88-48-47(87-54-49(76)62(80,26-66)27-82-54)46(86-39(69)16-11-30-9-12-31(81-8)13-10-30)29(2)84-53(48)90-56(79)63-20-19-61(25-65)32(33(63)21-57(3,4)23-38(63)68)14-15-36-58(5)22-34(67)50(60(7,55(77)78)37(58)17-18-59(36,61)6)89-52-45(75)43(73)41(71)35(24-64)85-52/h9-14,16,28-29,33-38,40-54,64-68,70-76,80H,15,17-27H2,1-8H3,(H,77,78)/b16-11+/t28-,29+,33-,34-,35+,36+,37+,38+,40-,41+,42+,43-,44+,45+,46-,47-,48+,49-,50-,51-,52-,53-,54-,58+,59+,60-,61-,62+,63-/m0/s1
Standard InChI (Main Layer) InChI=1S/C63H92O27/c1-28-40(70)42(72)44(74)51(83-28)88-48-47(87-54-49(76)62(80,26-66)27-82-54)46(86-39(69)16-11-30-9-12-31(81-8)13-10-30)29(2)84-53(48)90-56(79)63-20-19-61(25-65)32(33(63)21-57(3,4)23-38(63)68)14-15-36-58(5)22-34(67)50(60(7,55(77)78)37(58)17-18-59(36,61)6)89-52-45(75)43(73)41(71)35(24-64)85-52/h9-14,16,28-29,33-38,40-54,64-68,70-76,80H,15,17-27H2,1-8H3,(H,77,78)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

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
Polygalaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Atroxima congolana 174494 Polygalaceae rosids Viridiplantae