PCIDB

KNApSAcK Metabolite C00036693

Metabolite

KNApSAcK Entry

id C00036693
Name Agnucastoside A / (-)-Agnucastoside A
CAS RN 610786-38-4
Standard InChI InChI=1S/C26H38O12/c1-13(8-10-27)5-4-6-14(2)23(33)35-12-17-19(28)20(29)21(30)25(37-17)38-24-18-15(7-9-26(18,3)34)16(11-36-24)22(31)32/h6,8,11,15,17-21,24-25,27-30,34H,4-5,7,9-10,12H2,1-3H3,(H,31,32)/b13-8+,14-6+/t15-,17-,18-,19-,20+,21-,24+,25+,26+/m1/s1
Standard InChI (Main Layer) InChI=1S/C26H38O12/c1-13(8-10-27)5-4-6-14(2)23(33)35-12-17-19(28)20(29)21(30)25(37-17)38-24-18-15(7-9-26(18,3)34)16(11-36-24)22(31)32/h6,8,11,15,17-21,24-25,27-30,34H,4-5,7,9-10,12H2,1-3H3,(H,31,32)

Cluster

Phytochemical cluster
KCF-S cluster No. 3962

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
Vitex agnus-castus 54477 Lamiaceae asterids Viridiplantae