PCIDB

KNApSAcK Metabolite C00034944

Metabolite

KNApSAcK Entry

id C00034944
Name Newbouldioside C / (-)-Newbouldioside C
CAS RN 886855-59-0
Standard InChI InChI=1S/C46H56O23/c1-22-35(53)38(56)41(68-45-42(58)46(20-47,21-64-45)69-34(52)12-7-23-6-10-27(49)29(16-23)59-2)44(65-22)67-40-39(57)37(55)32(66-43(40)62-14-13-24-5-9-26(48)28(50)15-24)19-63-33(51)11-8-25-17-30(60-3)36(54)31(18-25)61-4/h5-12,15-18,22,32,35,37-45,47-50,53-58H,13-14,19-21H2,1-4H3/b11-8+,12-7+/t22-,32+,35-,37+,38+,39-,40+,41?,42-,43+,44-,45-,46+/m0/s1
Standard InChI (Main Layer) InChI=1S/C46H56O23/c1-22-35(53)38(56)41(68-45-42(58)46(20-47,21-64-45)69-34(52)12-7-23-6-10-27(49)29(16-23)59-2)44(65-22)67-40-39(57)37(55)32(66-43(40)62-14-13-24-5-9-26(48)28(50)15-24)19-63-33(51)11-8-25-17-30(60-3)36(54)31(18-25)61-4/h5-12,15-18,22,32,35,37-45,47-50,53-58H,13-14,19-21H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 4804

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
Bignoniaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Newbouldia laevis 211924 Bignoniaceae asterids Viridiplantae