PCIDB

KNApSAcK Metabolite C00036138

Metabolite

KNApSAcK Entry

id C00036138
Name Marruboside / (-)-Marruboside
CAS RN 444105-70-8
Standard InChI InChI=1S/C39H52O23/c40-13-38(53)15-57-36(32(38)50)56-12-25-30(61-26(46)6-3-17-1-4-20(42)22(44)9-17)19(27(47)35(60-25)55-8-7-18-2-5-21(43)23(45)10-18)11-24-31(28(48)29(49)34(52)59-24)62-37-33(51)39(54,14-41)16-58-37/h1-6,9-10,19,24-25,27-37,40-45,47-54H,7-8,11-16H2/b6-3+/t19-,24?,25-,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39-/m1/s1
Standard InChI (Main Layer) InChI=1S/C39H52O23/c40-13-38(53)15-57-36(32(38)50)56-12-25-30(61-26(46)6-3-17-1-4-20(42)22(44)9-17)19(27(47)35(60-25)55-8-7-18-2-5-21(43)23(45)10-18)11-24-31(28(48)29(49)34(52)59-24)62-37-33(51)39(54,14-41)16-58-37/h1-6,9-10,19,24-25,27-37,40-45,47-54H,7-8,11-16H2

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