PCIDB

KNApSAcK Metabolite C00041796

Metabolite

KNApSAcK Entry

id C00041796
Name Purgic acid A / (-)-Purgic acid A
CAS RN 916686-08-3
Standard InChI InChI=1S/C50H88O29/c1-18(2)23(14-12-10-8-7-9-11-13-15-26(53)54)72-48-42(34(62)29(57)21(5)70-48)79-50-44(36(64)31(59)25(17-52)74-50)78-47-39(67)41(40(22(6)71-47)75-45-37(65)32(60)27(55)19(3)68-45)76-49-43(35(63)30(58)24(16-51)73-49)77-46-38(66)33(61)28(56)20(4)69-46/h18-25,27-52,55-67H,7-17H2,1-6H3,(H,53,54)/t19-,20-,21-,22+,23-,24-,25-,27+,28-,29-,30-,31-,32+,33+,34+,35+,36+,37-,38-,39-,40+,41?,42-,43-,44-,45+,46+,47+,48+,49+,50+/m1/s1
Standard InChI (Main Layer) InChI=1S/C50H88O29/c1-18(2)23(14-12-10-8-7-9-11-13-15-26(53)54)72-48-42(34(62)29(57)21(5)70-48)79-50-44(36(64)31(59)25(17-52)74-50)78-47-39(67)41(40(22(6)71-47)75-45-37(65)32(60)27(55)19(3)68-45)76-49-43(35(63)30(58)24(16-51)73-49)77-46-38(66)33(61)28(56)20(4)69-46/h18-25,27-52,55-67H,7-17H2,1-6H3,(H,53,54)

Cluster

Phytochemical cluster
KCF-S cluster No. 697

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Convolvulaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Ipomoea purga 264534 Convolvulaceae asterids Viridiplantae