PCIDB

KNApSAcK Metabolite C00035846

Metabolite

KNApSAcK Entry

id C00035846
Name Javanicoside K
CAS RN 827018-83-7
Standard InChI InChI=1S/C34H48O17/c1-12-7-15(48-29-21(39)20(38)19(37)16(10-35)49-29)26(41)32(5)14(12)9-17-33-11-47-34(30(44)46-6,27(42)22(40)24(32)33)25(33)23(28(43)50-17)51-18(36)8-13(2)31(3,4)45/h7-8,14-17,19-27,29,35,37-42,45H,9-11H2,1-6H3/b13-8+/t14-,15-,16+,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-,29+,32-,33+,34-/m0/s1
Standard InChI (Main Layer) InChI=1S/C34H48O17/c1-12-7-15(48-29-21(39)20(38)19(37)16(10-35)49-29)26(41)32(5)14(12)9-17-33-11-47-34(30(44)46-6,27(42)22(40)24(32)33)25(33)23(28(43)50-17)51-18(36)8-13(2)31(3,4)45/h7-8,14-17,19-27,29,35,37-42,45H,9-11H2,1-6H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 875

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Simaroubaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Brucea amarissima (Lour.) Desv.ex B.A.Gomes 43722 Simaroubaceae rosids Viridiplantae