PCIDB

KNApSAcK Metabolite C00049069

Metabolite

KNApSAcK Entry

id C00049069
Name 14,15-Dehydroajugareptansin
CAS RN 210052-19-0
Standard InChI InChI=1S/C29H42O10/c1-7-15(2)25(33)38-20-12-21(32)29(14-36-29)28(13-35-17(4)30)23(37-18(5)31)10-16(3)27(6,24(20)28)22-11-19-8-9-34-26(19)39-22/h8-9,15-16,19-24,26,32H,7,10-14H2,1-6H3/t15-,16+,19+,20+,21-,22-,23-,24?,26-,27+,28+,29+/m0/s1
Standard InChI (Main Layer) InChI=1S/C29H42O10/c1-7-15(2)25(33)38-20-12-21(32)29(14-36-29)28(13-35-17(4)30)23(37-18(5)31)10-16(3)27(6,24(20)28)22-11-19-8-9-34-26(19)39-22/h8-9,15-16,19-24,26,32H,7,10-14H2,1-6H3

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
Ajuga reptans 38596 Lamiaceae asterids Viridiplantae