PCIDB

KNApSAcK Metabolite C00042963

Metabolite

KNApSAcK Entry

id C00042963
Name Scabrans G4 / (-)-Scabrans G4
CAS RN 857665-61-3
Standard InChI InChI=1S/C34H50O24/c1-2-10-11-3-4-49-29(48)12(11)6-50-30(10)58-34-28(47)24(43)20(39)16(57-34)9-53-33-27(46)23(42)19(38)15(56-33)8-52-32-26(45)22(41)18(37)14(55-32)7-51-31-25(44)21(40)17(36)13(5-35)54-31/h2-3,6,10,13-28,30-47H,1,4-5,7-9H2/t10-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25-,26-,27-,28-,30+,31-,32-,33-,34+/m1/s1
Standard InChI (Main Layer) InChI=1S/C34H50O24/c1-2-10-11-3-4-49-29(48)12(11)6-50-30(10)58-34-28(47)24(43)20(39)16(57-34)9-53-33-27(46)23(42)19(38)15(56-33)8-52-32-26(45)22(41)18(37)14(55-32)7-51-31-25(44)21(40)17(36)13(5-35)54-31/h2-3,6,10,13-28,30-47H,1,4-5,7-9H2

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