PCIDB

KNApSAcK Metabolite C00040611

Metabolite

KNApSAcK Entry

id C00040611
Name Vaccegoside C
CAS RN 53123-90-3
Standard InChI InChI=1S/C87H138O49/c1-28-42(95)48(101)55(108)74(120-28)129-64-35(94)26-119-73(60(64)113)127-62-29(2)121-75(59(112)52(62)105)130-65-61(114)79(122-30(3)63(65)128-76-56(109)49(102)45(98)36(21-88)123-76)136-81(116)87-18-16-82(4,5)20-32(87)31-10-11-40-83(6)14-13-41(84(7,27-91)39(83)12-15-86(40,9)85(31,8)17-19-87)126-80-69(134-78-58(111)51(104)47(100)38(23-90)125-78)67(132-77-57(110)50(103)46(99)37(22-89)124-77)66(131-71-53(106)43(96)33(92)24-117-71)68(133-80)70(115)135-72-54(107)44(97)34(93)25-118-72/h10,27-30,32-69,71-80,88-90,92-114H,11-26H2,1-9H3
Standard InChI (Main Layer) InChI=1S/C87H138O49/c1-28-42(95)48(101)55(108)74(120-28)129-64-35(94)26-119-73(60(64)113)127-62-29(2)121-75(59(112)52(62)105)130-65-61(114)79(122-30(3)63(65)128-76-56(109)49(102)45(98)36(21-88)123-76)136-81(116)87-18-16-82(4,5)20-32(87)31-10-11-40-83(6)14-13-41(84(7,27-91)39(83)12-15-86(40,9)85(31,8)17-19-87)126-80-69(134-78-58(111)51(104)47(100)38(23-90)125-78)67(132-77-57(110)50(103)46(99)37(22-89)124-77)66(131-71-53(106)43(96)33(92)24-117-71)68(133-80)70(115)135-72-54(107)44(97)34(93)25-118-72/h10,27-30,32-69,71-80,88-90,92-114H,11-26H2,1-9H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 49

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