PCIDB

KNApSAcK Metabolite C00049026

Metabolite

KNApSAcK Entry

id C00049026
Name Vaccaroside D / (-)-Vaccaroside D
CAS RN 209862-98-6
Standard InChI InChI=1S/C54H86O25/c1-23(44(69)70)24-10-12-53(6)31(51(24,4)11-7-17-55)9-8-25-26-18-50(2,3)13-15-54(26,16-14-52(25,53)5)49(71)79-47-41(68)42(77-45-39(66)36(63)32(59)27(19-56)73-45)35(62)30(76-47)22-72-48-43(38(65)34(61)29(21-58)75-48)78-46-40(67)37(64)33(60)28(20-57)74-46/h8,24,26-43,45-48,55-68H,1,7,9-22H2,2-6H3,(H,69,70)/t24-,26-,27+,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42-,43+,45-,46-,47-,48+,51-,52+,53+,54-/m0/s1
Standard InChI (Main Layer) InChI=1S/C54H86O25/c1-23(44(69)70)24-10-12-53(6)31(51(24,4)11-7-17-55)9-8-25-26-18-50(2,3)13-15-54(26,16-14-52(25,53)5)49(71)79-47-41(68)42(77-45-39(66)36(63)32(59)27(19-56)73-45)35(62)30(76-47)22-72-48-43(38(65)34(61)29(21-58)75-48)78-46-40(67)37(64)33(60)28(20-57)74-46/h8,24,26-43,45-48,55-68H,1,7,9-22H2,2-6H3,(H,69,70)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
eudicotyledons 1

Family

family name count
Caryophyllaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Vaccaria segetalis 39387 Caryophyllaceae eudicotyledons Viridiplantae