PCIDB

KNApSAcK Metabolite C00030550

Metabolite

KNApSAcK Entry

id C00030550
Name Isotubocaposide A
CAS RN 929701-94-0
Standard InChI InChI=1S/C48H74O21/c1-19(51)63-31-13-21(12-20-6-7-22-24-8-9-25(46(24,3)11-10-26(22)47(20,31)4)23-14-45(2)15-27(23)68-44(60)48(45,5)61)64-43-40(69-42-39(59)36(56)33(53)29(17-50)66-42)37(57)34(54)30(67-43)18-62-41-38(58)35(55)32(52)28(16-49)65-41/h6,21-43,49-50,52-59,61H,7-18H2,1-5H3/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43-,45-,46+,47+,48-/m1/s1
Standard InChI (Main Layer) InChI=1S/C48H74O21/c1-19(51)63-31-13-21(12-20-6-7-22-24-8-9-25(46(24,3)11-10-26(22)47(20,31)4)23-14-45(2)15-27(23)68-44(60)48(45,5)61)64-43-40(69-42-39(59)36(56)33(53)29(17-50)66-42)37(57)34(54)30(67-43)18-62-41-38(58)35(55)32(52)28(16-49)65-41/h6,21-43,49-50,52-59,61H,7-18H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 742

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
Tubocapsicum anomalum MAKINO 180579 Solanaceae asterids Viridiplantae