PCIDB

KNApSAcK Metabolite C00036042

Metabolite

KNApSAcK Entry

id C00036042
Name Ballotetroside
CAS RN 188441-89-6
Standard InChI InChI=1S/C39H52O23/c40-14-39(54)15-58-38(34(39)52)57-13-25-32(61-26(46)6-3-16-1-4-19(41)21(43)9-16)18(27(47)36(60-25)55-8-7-17-2-5-20(42)22(44)10-17)11-24-33(29(49)30(50)35(53)59-24)62-37-31(51)28(48)23(45)12-56-37/h1-6,9-10,18,23-25,27-38,40-45,47-54H,7-8,11-15H2/b6-3+/t18-,23+,24+,25-,27-,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38-,39-/m1/s1
Standard InChI (Main Layer) InChI=1S/C39H52O23/c40-14-39(54)15-58-38(34(39)52)57-13-25-32(61-26(46)6-3-16-1-4-19(41)21(43)9-16)18(27(47)36(60-25)55-8-7-17-2-5-20(42)22(44)10-17)11-24-33(29(49)30(50)35(53)59-24)62-37-31(51)28(48)23(45)12-56-37/h1-6,9-10,18,23-25,27-38,40-45,47-54H,7-8,11-15H2

Cluster

Phytochemical cluster
KCF-S cluster No. 33

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
Marrubium vulgare 41230 Lamiaceae asterids Viridiplantae