PCIDB

KNApSAcK Metabolite C00045434

Metabolite

KNApSAcK Entry

id C00045434
Name Versicoside A
CAS RN 88434-20-2
Standard InChI InChI=1S/C62H102O33S/c1-22(2)15-26(65)18-62(8,79)36-10-9-29-28-17-32(31-16-27(95-96(80,81)82)11-13-60(31,6)30(28)12-14-61(29,36)7)87-56-48(77)51(39(68)24(4)85-56)92-58-52(93-54-46(75)43(72)37(66)23(3)84-54)42(71)35(21-83-58)90-59-53(45(74)41(70)34(20-64)89-59)94-57-49(78)50(38(67)25(5)86-57)91-55-47(76)44(73)40(69)33(19-63)88-55/h12,22-25,27-29,31-59,63-64,66-79H,9-11,13-21H2,1-8H3,(H,80,81,82)
Standard InChI (Main Layer) InChI=1S/C62H102O33S/c1-22(2)15-26(65)18-62(8,79)36-10-9-29-28-17-32(31-16-27(95-96(80,81)82)11-13-60(31,6)30(28)12-14-61(29,36)7)87-56-48(77)51(39(68)24(4)85-56)92-58-52(93-54-46(75)43(72)37(66)23(3)84-54)42(71)35(21-83-58)90-59-53(45(74)41(70)34(20-64)89-59)94-57-49(78)50(38(67)25(5)86-57)91-55-47(76)44(73)40(69)33(19-63)88-55/h12,22-25,27-29,31-59,63-64,66-79H,9-11,13-21H2,1-8H3,(H,80,81,82)

Cluster

Phytochemical cluster
KCF-S cluster No. 247

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1208228

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Asteriidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Anasterias minuta 466973 Asteriidae Metazoa