PCIDB

KNApSAcK Metabolite C00050224

Metabolite

KNApSAcK Entry

id C00050224
Name Scupontin B / (-)-Scupontin B
CAS RN 188846-81-3
Standard InChI InChI=1S/C32H46O11/c1-18-12-26(42-22(5)34)32(17-38-27(35)13-20(3)41-28(36)14-19(2)40-21(4)33)24(8-7-10-31(32)16-39-31)30(18,6)25-15-23-9-11-37-29(23)43-25/h9,11,18-20,23-26,29H,7-8,10,12-17H2,1-6H3/t18-,19+,20+,23-,24-,25+,26+,29+,30+,31+,32+/m1/s1
Standard InChI (Main Layer) InChI=1S/C32H46O11/c1-18-12-26(42-22(5)34)32(17-38-27(35)13-20(3)41-28(36)14-19(2)40-21(4)33)24(8-7-10-31(32)16-39-31)30(18,6)25-15-23-9-11-37-29(23)43-25/h9,11,18-20,23-26,29H,7-8,10,12-17H2,1-6H3

Cluster

Phytochemical cluster No. 43
KCF-S cluster No. 172

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 pontica 4139 Lamiaceae asterids Viridiplantae