PCIDB

KNApSAcK Metabolite C00032684

Metabolite

KNApSAcK Entry

id C00032684
Name Abutiloside H
CAS RN 449176-31-2
Standard InChI InChI=1S/C46H75NO17/c1-20(17-47-23(4)49)7-10-29(50)21(2)33-30(51)16-28-26-9-8-24-15-25(11-13-45(24,5)27(26)12-14-46(28,33)6)61-43-39(58)37(56)40(32(18-48)62-43)63-44-41(36(55)34(53)22(3)60-44)64-42-38(57)35(54)31(52)19-59-42/h8,20-22,25-28,30-44,48,51-58H,7,9-19H2,1-6H3,(H,47,49)/t20?,21-,22+,25+,26-,27+,28+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42+,43-,44+,45+,46+/m1/s1
Standard InChI (Main Layer) InChI=1S/C46H75NO17/c1-20(17-47-23(4)49)7-10-29(50)21(2)33-30(51)16-28-26-9-8-24-15-25(11-13-45(24,5)27(26)12-14-46(28,33)6)61-43-39(58)37(56)40(32(18-48)62-43)63-44-41(36(55)34(53)22(3)60-44)64-42-38(57)35(54)31(52)19-59-42/h8,20-22,25-28,30-44,48,51-58H,7,9-19H2,1-6H3,(H,47,49)

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