PCIDB

KNApSAcK Metabolite C00039401

Metabolite

KNApSAcK Entry

id C00039401
Name Ichthyopeptin B
CAS RN 946828-33-7
Standard InChI InChI=1S/C49H70N8O13/c1-9-26(5)39-45(65)51-32-20-21-37(61)57(47(32)67)41(27(6)10-2)48(68)56(8)34(22-29-14-12-11-13-15-29)43(63)53-38(25(3)4)49(69)70-28(7)40(46(66)54-39)55-42(62)33(24-36(50)60)52-44(64)35(59)23-30-16-18-31(58)19-17-30/h11-19,25-28,32-35,37-41,58-59,61H,9-10,20-24H2,1-8H3,(H2,50,60)(H,51,65)(H,52,64)(H,53,63)(H,54,66)(H,55,62)/t26?,27?,28-,32+,33+,34?,35?,37-,38+,39+,40+,41+/m1/s1
Standard InChI (Main Layer) InChI=1S/C49H70N8O13/c1-9-26(5)39-45(65)51-32-20-21-37(61)57(47(32)67)41(27(6)10-2)48(68)56(8)34(22-29-14-12-11-13-15-29)43(63)53-38(25(3)4)49(69)70-28(7)40(46(66)54-39)55-42(62)33(24-36(50)60)52-44(64)35(59)23-30-16-18-31(58)19-17-30/h11-19,25-28,32-35,37-41,58-59,61H,9-10,20-24H2,1-8H3,(H2,50,60)(H,51,65)(H,52,64)(H,53,63)(H,54,66)(H,55,62)

Cluster

Phytochemical cluster
KCF-S cluster No. 116

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Microcystis ichthyoblabe 75561 Bacteria