PCIDB

KNApSAcK Metabolite C00041797

Metabolite

KNApSAcK Entry

id C00041797
Name Purgic acid B / (-)-Purgic acid B
CAS RN 916686-12-9
Standard InChI InChI=1S/C52H92O29/c1-6-7-13-16-25(17-14-11-9-8-10-12-15-18-28(55)56)74-50-44(36(64)31(59)23(4)72-50)81-52-46(38(66)33(61)27(20-54)76-52)80-49-41(69)43(42(24(5)73-49)77-47-39(67)34(62)29(57)21(2)70-47)78-51-45(37(65)32(60)26(19-53)75-51)79-48-40(68)35(63)30(58)22(3)71-48/h21-27,29-54,57-69H,6-20H2,1-5H3,(H,55,56)/t21-,22-,23-,24+,25+,26-,27-,29+,30-,31-,32-,33-,34+,35+,36+,37+,38+,39-,40-,41-,42+,43+,44-,45-,46-,47+,48+,49+,50+,51+,52+/m1/s1
Standard InChI (Main Layer) InChI=1S/C52H92O29/c1-6-7-13-16-25(17-14-11-9-8-10-12-15-18-28(55)56)74-50-44(36(64)31(59)23(4)72-50)81-52-46(38(66)33(61)27(20-54)76-52)80-49-41(69)43(42(24(5)73-49)77-47-39(67)34(62)29(57)21(2)70-47)78-51-45(37(65)32(60)26(19-53)75-51)79-48-40(68)35(63)30(58)22(3)71-48/h21-27,29-54,57-69H,6-20H2,1-5H3,(H,55,56)

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