PCIDB

KNApSAcK Metabolite C00030551

Metabolite

KNApSAcK Entry

id C00030551
Name Isotubocaposide B
CAS RN 929701-96-2
Standard InChI InChI=1S/C42H64O16/c1-18(44)54-29-13-20(55-37-35(50)33(48)31(46)28(57-37)17-53-36-34(49)32(47)30(45)27(16-43)56-36)12-19-6-7-21-23-8-9-24(40(23,3)11-10-25(21)41(19,29)4)22-14-39(2)15-26(22)58-38(51)42(39,5)52/h6,20-37,43,45-50,52H,7-17H2,1-5H3/t20-,21+,22+,23+,24-,25+,26-,27-,28-,29+,30-,31-,32+,33+,34-,35-,36-,37-,39-,40+,41+,42-/m1/s1
Standard InChI (Main Layer) InChI=1S/C42H64O16/c1-18(44)54-29-13-20(55-37-35(50)33(48)31(46)28(57-37)17-53-36-34(49)32(47)30(45)27(16-43)56-36)12-19-6-7-21-23-8-9-24(40(23,3)11-10-25(21)41(19,29)4)22-14-39(2)15-26(22)58-38(51)42(39,5)52/h6,20-37,43,45-50,52H,7-17H2,1-5H3

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