PCIDB

KNApSAcK Metabolite C00043337

Metabolite

KNApSAcK Entry

id C00043337
Name Caissarine B
CAS RN 439132-05-5
Standard InChI InChI=1S/C27H32Br4N4O9/c1-41-20-14(28)8-26(22(37)18(20)30)10-16(34-43-26)24(39)32-7-5-3-4-6-13(36)12-33-25(40)17-11-27(44-35-17)9-15(29)21(42-2)19(31)23(27)38/h8-9,13,22-23,36-38H,3-7,10-12H2,1-2H3,(H,32,39)(H,33,40)/t13?,22-,23+,26+,27-/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H32Br4N4O9/c1-41-20-14(28)8-26(22(37)18(20)30)10-16(34-43-26)24(39)32-7-5-3-4-6-13(36)12-33-25(40)17-11-27(44-35-17)9-15(29)21(42-2)19(31)23(27)38/h8-9,13,22-23,36-38H,3-7,10-12H2,1-2H3,(H,32,39)(H,33,40)

Cluster

Phytochemical cluster
KCF-S cluster No. 1244

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
Aplysinidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aplysina caissara 527699 Aplysinidae Metazoa