PCIDB

KNApSAcK Metabolite C00050287

Metabolite

KNApSAcK Entry

id C00050287
Name Kawaguchipeptin B / (-)-Kawaguchipeptin B
CAS RN 190952-24-0
Standard InChI InChI=1S/C58H76N16O18/c1-26(2)15-34-50(84)68-37(18-43(59)77)49(83)64-24-46(80)65-40(21-47(81)82)55(89)70-39(20-45(61)79)54(88)69-38(19-44(60)78)53(87)67-35(16-28-22-62-32-11-6-4-9-30(28)32)52(86)72-41(25-75)56(90)73-48(27(3)76)58(92)74-14-8-13-42(74)57(91)71-36(51(85)66-34)17-29-23-63-33-12-7-5-10-31(29)33/h4-7,9-12,22-23,26-27,34-42,48,62-63,75-76H,8,13-21,24-25H2,1-3H3,(H2,59,77)(H2,60,78)(H2,61,79)(H,64,83)(H,65,80)(H,66,85)(H,67,87)(H,68,84)(H,69,88)(H,70,89)(H,71,91)(H,72,86)(H,73,90)(H,81,82)/t27-,34+,35+,36+,37+,38+,39+,40+,41+,42+,48?/m1/s1
Standard InChI (Main Layer) InChI=1S/C58H76N16O18/c1-26(2)15-34-50(84)68-37(18-43(59)77)49(83)64-24-46(80)65-40(21-47(81)82)55(89)70-39(20-45(61)79)54(88)69-38(19-44(60)78)53(87)67-35(16-28-22-62-32-11-6-4-9-30(28)32)52(86)72-41(25-75)56(90)73-48(27(3)76)58(92)74-14-8-13-42(74)57(91)71-36(51(85)66-34)17-29-23-63-33-12-7-5-10-31(29)33/h4-7,9-12,22-23,26-27,34-42,48,62-63,75-76H,8,13-21,24-25H2,1-3H3,(H2,59,77)(H2,60,78)(H2,61,79)(H,64,83)(H,65,80)(H,66,85)(H,67,87)(H,68,84)(H,69,88)(H,70,89)(H,71,91)(H,72,86)(H,73,90)(H,81,82)

Cluster

Phytochemical cluster
KCF-S cluster No. 2160

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL504521

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 aeruginosa NIES-88 449441 Bacteria