PCIDB

KNApSAcK Metabolite C00028294

Metabolite

KNApSAcK Entry

id C00028294
Name Geometricin A
CAS RN 443769-46-8
Standard InChI InChI=1S/C39H63N2O12P/c1-22(17-34(40)44)13-11-14-23(2)24(3)18-25(4)35(45)27(6)30(42)19-33(49-10)36-37(53-54(46,47)48)38(8,9)39(52-36)20-31(43)26(5)32(51-39)16-12-15-29-21-50-28(7)41-29/h12,14-15,17-18,21,25-27,30-33,35-37,42-43,45H,11,13,16,19-20H2,1-10H3,(H2,40,44)(H2,46,47,48)/b15-12+,22-17-,23-14+,24-18+/t25?,26-,27?,30?,31-,32-,33?,35?,36+,37-,39+/m0/s1
Standard InChI (Main Layer) InChI=1S/C39H63N2O12P/c1-22(17-34(40)44)13-11-14-23(2)24(3)18-25(4)35(45)27(6)30(42)19-33(49-10)36-37(53-54(46,47)48)38(8,9)39(52-36)20-31(43)26(5)32(51-39)16-12-15-29-21-50-28(7)41-29/h12,14-15,17-18,21,25-27,30-33,35-37,42-43,45H,11,13,16,19-20H2,1-10H3,(H2,40,44)(H2,46,47,48)

Cluster

Phytochemical cluster
KCF-S cluster No. 349

Link

ChEMBL

By standard InChI CHEMBL507404
By standard InChI Main Layer CHEMBL507404

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Thorectidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Luffariella geometrica 1336870 Thorectidae Metazoa