PCIDB

KNApSAcK Metabolite C00031808

Metabolite

KNApSAcK Entry

id C00031808
Name Gemmacolide B / (-)-Gemmacolide B
CAS RN 134887-85-7
Standard InChI InChI=1S/C33H45ClO14/c1-10-14(2)29(39)47-23-26(44-18(6)36)31(9)21(43-17(5)35)12-11-15(3)22(34)25-33(41,16(4)30(40)48-25)28(46-20(8)38)24(31)32(13-42-32)27(23)45-19(7)37/h14,16,21-28,41H,3,10-13H2,1-2,4-9H3
Standard InChI (Main Layer) InChI=1S/C33H45ClO14/c1-10-14(2)29(39)47-23-26(44-18(6)36)31(9)21(43-17(5)35)12-11-15(3)22(34)25-33(41,16(4)30(40)48-25)28(46-20(8)38)24(31)32(13-42-32)27(23)45-19(7)37/h14,16,21-28,41H,3,10-13H2,1-2,4-9H3

Cluster

Phytochemical cluster
KCF-S cluster No. 278

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
Ellisellidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Junceella juncea 252316 Ellisellidae Metazoa