PCIDB

KNApSAcK Metabolite C00044371

Metabolite

KNApSAcK Entry

id C00044371
Name Vaccaroside H
CAS RN 211508-54-2
Standard InChI InChI=1S/C65H102O32/c1-24-46(92-53-42(77)35(70)29(69)23-85-53)41(76)45(80)54(86-24)96-51-50(95-55-43(78)37(72)31(22-67)90-55)47(88-26(3)68)25(2)87-58(51)97-59(83)65-18-16-60(4,5)20-28(65)27-10-11-32-61(6)14-13-34(64(9,84)33(61)12-15-63(32,8)62(27,7)17-19-65)91-57-49(40(75)39(74)48(93-57)52(81)82)94-56-44(79)38(73)36(71)30(21-66)89-56/h10,24-25,28-51,53-58,66-67,69-80,84H,11-23H2,1-9H3,(H,81,82)/t24-,25+,28-,29+,30+,31+,32+,33+,34-,35-,36-,37+,38-,39-,40-,41-,42+,43-,44+,45+,46-,47-,48-,49+,50-,51+,53-,54-,55-,56-,57+,58-,61+,62+,63+,64-,65-/m0/s1
Standard InChI (Main Layer) InChI=1S/C65H102O32/c1-24-46(92-53-42(77)35(70)29(69)23-85-53)41(76)45(80)54(86-24)96-51-50(95-55-43(78)37(72)31(22-67)90-55)47(88-26(3)68)25(2)87-58(51)97-59(83)65-18-16-60(4,5)20-28(65)27-10-11-32-61(6)14-13-34(64(9,84)33(61)12-15-63(32,8)62(27,7)17-19-65)91-57-49(40(75)39(74)48(93-57)52(81)82)94-56-44(79)38(73)36(71)30(21-66)89-56/h10,24-25,28-51,53-58,66-67,69-80,84H,11-23H2,1-9H3,(H,81,82)

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