PCIDB

KNApSAcK Metabolite C00044370

Metabolite

KNApSAcK Entry

id C00044370
Name Vaccaroside G
CAS RN 211508-52-0
Standard InChI InChI=1S/C66H102O32/c1-25-47(93-54-43(79)36(72)30(71)23-86-54)42(78)46(82)55(87-25)97-52-51(96-56-44(80)38(74)32(22-68)91-56)48(89-27(3)70)26(2)88-59(52)98-60(85)66-18-16-61(4,5)20-29(66)28-10-11-34-62(6)14-13-35(63(7,24-69)33(62)12-15-65(34,9)64(28,8)17-19-66)92-58-50(41(77)40(76)49(94-58)53(83)84)95-57-45(81)39(75)37(73)31(21-67)90-57/h10,24-26,29-52,54-59,67-68,71-82H,11-23H2,1-9H3,(H,83,84)/t25-,26+,29-,30+,31+,32+,33+,34+,35-,36-,37-,38+,39-,40-,41-,42-,43+,44-,45+,46+,47-,48-,49-,50+,51-,52+,54-,55-,56-,57-,58+,59-,62-,63-,64+,65+,66-/m0/s1
Standard InChI (Main Layer) InChI=1S/C66H102O32/c1-25-47(93-54-43(79)36(72)30(71)23-86-54)42(78)46(82)55(87-25)97-52-51(96-56-44(80)38(74)32(22-68)91-56)48(89-27(3)70)26(2)88-59(52)98-60(85)66-18-16-61(4,5)20-29(66)28-10-11-34-62(6)14-13-35(63(7,24-69)33(62)12-15-65(34,9)64(28,8)17-19-66)92-58-50(41(77)40(76)49(94-58)53(83)84)95-57-45(81)39(75)37(73)31(21-67)90-57/h10,24-26,29-52,54-59,67-68,71-82H,11-23H2,1-9H3,(H,83,84)

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