PCIDB

KNApSAcK Metabolite C00047852

Metabolite

KNApSAcK Entry

id C00047852
Name Dodoneaside B / (-)-Dodoneaside B
CAS RN 1186496-76-3
Standard InChI InChI=1S/C57H88O22/c1-13-24(2)46(69)77-44-43(78-50(70)57(12)25(3)79-57)51(4,5)20-27-26-14-15-31-53(8)18-17-33(52(6,7)30(53)16-19-54(31,9)55(26,10)21-32(60)56(27,44)11)73-49-42(76-48-38(65)36(63)34(61)28(22-58)71-48)40(39(66)41(75-49)45(67)68)74-47-37(64)35(62)29(23-59)72-47/h13-14,25,27-44,47-49,58-66H,15-23H2,1-12H3,(H,67,68)/b24-13-/t25?,27-,28+,29-,30-,31+,32+,33-,34+,35-,36-,37+,38+,39-,40-,41-,42+,43-,44-,47-,48-,49?,53-,54+,55+,56-,57?/m0/s1
Standard InChI (Main Layer) InChI=1S/C57H88O22/c1-13-24(2)46(69)77-44-43(78-50(70)57(12)25(3)79-57)51(4,5)20-27-26-14-15-31-53(8)18-17-33(52(6,7)30(53)16-19-54(31,9)55(26,10)21-32(60)56(27,44)11)73-49-42(76-48-38(65)36(63)34(61)28(22-58)71-48)40(39(66)41(75-49)45(67)68)74-47-37(64)35(62)29(23-59)72-47/h13-14,25,27-44,47-49,58-66H,15-23H2,1-12H3,(H,67,68)

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
rosids 1

Family

family name count
Sapindaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Dodonaea viscosa 151065 Sapindaceae rosids Viridiplantae