PCIDB

KNApSAcK Metabolite C00031333

Metabolite

KNApSAcK Entry

id C00031333
Name Scutebarbatine J / (-)-Scutebarbatine J
CAS RN 1039359-55-1
Standard InChI InChI=1S/C30H41NO8/c1-5-34-25-14-21-13-23(38-27(21)39-25)28(4)18(2)12-24(37-26(33)20-8-7-11-31-15-20)30(17-35-19(3)32)22(28)9-6-10-29(30)16-36-29/h7-8,11,15,18,21-25,27H,5-6,9-10,12-14,16-17H2,1-4H3/t18-,21+,22-,23+,24+,25+,27-,28+,29+,30+/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H41NO8/c1-5-34-25-14-21-13-23(38-27(21)39-25)28(4)18(2)12-24(37-26(33)20-8-7-11-31-15-20)30(17-35-19(3)32)22(28)9-6-10-29(30)16-36-29/h7-8,11,15,18,21-25,27H,5-6,9-10,12-14,16-17H2,1-4H3

Cluster

Phytochemical cluster No. 41
KCF-S cluster No. 862

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
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Scutellaria barbata 396367 Lamiaceae asterids Viridiplantae