PCIDB

KNApSAcK Metabolite C00040170

Metabolite

KNApSAcK Entry

id C00040170
Name Rubicunoside A
CAS RN 171528-07-7
Standard InChI InChI=1S/C79H122O42/c1-27-55(111-36-13-12-33(84)57(45(36)91)115-66-50(96)42(88)34(85)24-105-66)48(94)53(99)68(107-27)114-56-28(2)108-71(63(61(56)110-30(4)83)119-70-60(109-29(3)82)47(93)49(95)65(103)120-70)121-73(104)79-20-19-74(5,6)21-32(79)31-11-14-39-75(7)17-16-41(76(8,26-81)38(75)15-18-77(39,9)78(31,10)22-40(79)87)113-72-62(118-69-52(98)46(92)44(90)37(23-80)112-69)58(54(100)59(117-72)64(101)102)116-67-51(97)43(89)35(86)25-106-67/h11,26-28,32-63,65-72,80,84-100,103H,12-25H2,1-10H3,(H,101,102)
Standard InChI (Main Layer) InChI=1S/C79H122O42/c1-27-55(111-36-13-12-33(84)57(45(36)91)115-66-50(96)42(88)34(85)24-105-66)48(94)53(99)68(107-27)114-56-28(2)108-71(63(61(56)110-30(4)83)119-70-60(109-29(3)82)47(93)49(95)65(103)120-70)121-73(104)79-20-19-74(5,6)21-32(79)31-11-14-39-75(7)17-16-41(76(8,26-81)38(75)15-18-77(39,9)78(31,10)22-40(79)87)113-72-62(118-69-52(98)46(92)44(90)37(23-80)112-69)58(54(100)59(117-72)64(101)102)116-67-51(97)43(89)35(86)25-106-67/h11,26-28,32-63,65-72,80,84-100,103H,12-25H2,1-10H3,(H,101,102)

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
Silene rubicunda 3573 Caryophyllaceae eudicotyledons Viridiplantae