PCIDB

KNApSAcK Metabolite C00028273

Metabolite

KNApSAcK Entry

id C00028273
Name Fistularin 3
CAS RN 73622-22-7
Standard InChI InChI=1S/C31H30Br6N4O11/c1-48-24-16(34)5-30(26(44)21(24)36)7-18(40-51-30)28(46)38-9-13(42)11-50-23-14(32)3-12(4-15(23)33)20(43)10-39-29(47)19-8-31(52-41-19)6-17(35)25(49-2)22(37)27(31)45/h3-6,13,20,26-27,42-45H,7-11H2,1-2H3,(H,38,46)(H,39,47)/t13-,20?,26-,27?,30+,31+/m0/s1
Standard InChI (Main Layer) InChI=1S/C31H30Br6N4O11/c1-48-24-16(34)5-30(26(44)21(24)36)7-18(40-51-30)28(46)38-9-13(42)11-50-23-14(32)3-12(4-15(23)33)20(43)10-39-29(47)19-8-31(52-41-19)6-17(35)25(49-2)22(37)27(31)45/h3-6,13,20,26-27,42-45H,7-11H2,1-2H3,(H,38,46)(H,39,47)

Cluster

Phytochemical cluster
KCF-S cluster No. 1244

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL470534 CHEMBL2332121

KEGG

By LinkDB

CTD

By CAS RN C076216

Species

Summary

Plant class

class name count

Family

family name count
Aplysinidae 1

List (2)

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