PCIDB

KNApSAcK Metabolite C00027797

Metabolite

KNApSAcK Entry

id C00027797
Name Abutiloside A
CAS RN 171864-79-2
Standard InChI InChI=1S/C49H83NO17/c1-8-23(3)44(61)50-19-22(2)9-12-31(52)24(4)35-32(53)18-30-28-11-10-26-17-27(13-15-48(26,6)29(28)14-16-49(30,35)7)64-46-41(60)39(58)42(34(20-51)65-46)66-47-43(38(57)36(55)25(5)63-47)67-45-40(59)37(56)33(54)21-62-45/h22-30,32-43,45-47,51,53-60H,8-21H2,1-7H3,(H,50,61)/t22-,23?,24-,25+,26+,27+,28-,29+,30+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43-,45+,46-,47+,48+,49+/m1/s1
Standard InChI (Main Layer) InChI=1S/C49H83NO17/c1-8-23(3)44(61)50-19-22(2)9-12-31(52)24(4)35-32(53)18-30-28-11-10-26-17-27(13-15-48(26,6)29(28)14-16-49(30,35)7)64-46-41(60)39(58)42(34(20-51)65-46)66-47-43(38(57)36(55)25(5)63-47)67-45-40(59)37(56)33(54)21-62-45/h22-30,32-43,45-47,51,53-60H,8-21H2,1-7H3,(H,50,61)

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 17

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
Solanaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Solanum abutiloides 45831 Solanaceae asterids Viridiplantae