Metabolite

KNApSAcK Entry

id C00040173
Name Rubicunoside D / (-)-Rubicunoside D
CAS RN 180965-45-1
Standard InChI InChI=1S/C83H130O42/c1-30(2)25-107-68(105)63-57(103)62(121-70-54(100)48(94)39(89)27-109-70)66(123-73-55(101)50(96)49(95)41(24-84)116-73)76(122-63)117-45-17-18-79(10)42(80(45,11)29-85)16-19-81(12)43(79)15-14-36-37-22-78(8,9)20-21-83(37,44(91)23-82(36,81)13)77(106)125-75-67(124-74-64(114-34(6)86)51(97)46(92)31(3)111-74)65(115-35(7)87)60(33(5)113-75)119-72-56(102)52(98)59(32(4)112-72)118-71-58(104)61(40(90)28-110-71)120-69-53(99)47(93)38(88)26-108-69/h14,29-33,37-67,69-76,84,88-104H,15-28H2,1-13H3/t31-,32+,33-,37+,38-,39-,40-,41-,42-,43-,44-,45+,46-,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57+,58-,59+,60+,61+,62+,63+,64-,65+,66-,67-,69+,70+,71+,72+,73+,74+,75+,76-,79+,80+,81-,82-,83-/m1/s1
Standard InChI (Main Layer) InChI=1S/C83H130O42/c1-30(2)25-107-68(105)63-57(103)62(121-70-54(100)48(94)39(89)27-109-70)66(123-73-55(101)50(96)49(95)41(24-84)116-73)76(122-63)117-45-17-18-79(10)42(80(45,11)29-85)16-19-81(12)43(79)15-14-36-37-22-78(8,9)20-21-83(37,44(91)23-82(36,81)13)77(106)125-75-67(124-74-64(114-34(6)86)51(97)46(92)31(3)111-74)65(115-35(7)87)60(33(5)113-75)119-72-56(102)52(98)59(32(4)112-72)118-71-58(104)61(40(90)28-110-71)120-69-53(99)47(93)38(88)26-108-69/h14,29-33,37-67,69-76,84,88-104H,15-28H2,1-13H3

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