PCIDB

KNApSAcK Metabolite C00034833

Metabolite

KNApSAcK Entry

id C00034833
Name Desacylescin III
CAS RN 182167-44-8
Standard InChI InChI=1S/C48H78O21/c1-43(2)14-20-19-8-9-24-45(5)12-11-26(44(3,4)23(45)10-13-46(24,6)47(19,7)15-25(52)48(20,18-51)38(61)37(43)60)66-42-35(68-41-32(58)30(56)28(54)22(17-50)65-41)33(59)34(36(69-42)39(62)63)67-40-31(57)29(55)27(53)21(16-49)64-40/h8,20-38,40-42,49-61H,9-18H2,1-7H3,(H,62,63)/t20-,21+,22+,23-,24+,25+,26-,27+,28-,29-,30-,31+,32+,33-,34-,35+,36-,37-,38-,40-,41-,42+,45-,46+,47+,48-/m0/s1
Standard InChI (Main Layer) InChI=1S/C48H78O21/c1-43(2)14-20-19-8-9-24-45(5)12-11-26(44(3,4)23(45)10-13-46(24,6)47(19,7)15-25(52)48(20,18-51)38(61)37(43)60)66-42-35(68-41-32(58)30(56)28(54)22(17-50)65-41)33(59)34(36(69-42)39(62)63)67-40-31(57)29(55)27(53)21(16-49)64-40/h8,20-38,40-42,49-61H,9-18H2,1-7H3,(H,62,63)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 9

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Careya arborea 79559 asterids Viridiplantae