PCIDB

KNApSAcK Metabolite C00036235

Metabolite

KNApSAcK Entry

id C00036235
Name Velutinoside I
CAS RN 629647-90-1
Standard InChI InChI=1S/C40H54O24/c1-15-26(48)30(52)36(64-38-31(53)27(49)22(46)13-57-38)40(59-15)63-35-33(55)39(56-9-8-17-3-6-19(43)21(45)11-17)61-24(14-58-37-32(54)29(51)28(50)23(12-41)60-37)34(35)62-25(47)7-4-16-2-5-18(42)20(44)10-16/h2-7,10-11,15,22-24,26-46,48-55H,8-9,12-14H2,1H3/b7-4+/t15-,22-,23+,24+,26-,27-,28+,29-,30+,31+,32+,33+,34+,35+,36+,37?,38-,39+,40-/m0/s1
Standard InChI (Main Layer) InChI=1S/C40H54O24/c1-15-26(48)30(52)36(64-38-31(53)27(49)22(46)13-57-38)40(59-15)63-35-33(55)39(56-9-8-17-3-6-19(43)21(45)11-17)61-24(14-58-37-32(54)29(51)28(50)23(12-41)60-37)34(35)62-25(47)7-4-16-2-5-18(42)20(44)10-16/h2-7,10-11,15,22-24,26-46,48-55H,8-9,12-14H2,1H3

Cluster

Phytochemical cluster
KCF-S cluster No. 33

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL434389

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 velutinum 41229 Lamiaceae asterids Viridiplantae