PCIDB

KNApSAcK Metabolite C00042964

Metabolite

KNApSAcK Entry

id C00042964
Name Scabrans G5 / (-)-Scabrans G5
CAS RN 857665-63-5
Standard InChI InChI=1S/C40H60O29/c1-2-11-12-3-4-58-34(57)13(12)6-59-35(11)69-40-33(56)28(51)23(46)18(68-40)10-63-39-32(55)27(50)22(45)17(67-39)9-62-38-31(54)26(49)21(44)16(66-38)8-61-37-30(53)25(48)20(43)15(65-37)7-60-36-29(52)24(47)19(42)14(5-41)64-36/h2-3,6,11,14-33,35-56H,1,4-5,7-10H2/t11-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29-,30-,31-,32-,33-,35+,36-,37-,38-,39-,40+/m1/s1
Standard InChI (Main Layer) InChI=1S/C40H60O29/c1-2-11-12-3-4-58-34(57)13(12)6-59-35(11)69-40-33(56)28(51)23(46)18(68-40)10-63-39-32(55)27(50)22(45)17(67-39)9-62-38-31(54)26(49)21(44)16(66-38)8-61-37-30(53)25(48)20(43)15(65-37)7-60-36-29(52)24(47)19(42)14(5-41)64-36/h2-3,6,11,14-33,35-56H,1,4-5,7-10H2

Cluster

Phytochemical cluster
KCF-S cluster No. 3327

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Gentianaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Gentiana scabra 292393 Gentianaceae asterids Viridiplantae