PCIDB

KNApSAcK Metabolite C00040598

Metabolite

KNApSAcK Entry

id C00040598
Name Tyrianthinic acid I
CAS RN 1072159-00-2
Standard InChI InChI=1S/C50H88O23/c1-9-11-17-20-30(21-18-15-13-12-14-16-19-22-32(53)54)67-48-42(35(57)33(55)27(6)64-48)73-50-43(36(58)34(56)31(23-51)68-50)72-49-44(70-45(62)24(3)10-2)39(61)41(29(8)66-49)71-47-38(60)37(59)40(28(7)65-47)69-46(63)25(4)26(5)52/h24-31,33-44,47-52,55-61H,9-23H2,1-8H3,(H,53,54)/t24?,25?,26?,27-,28-,29+,30-,31-,33-,34-,35+,36+,37-,38-,39-,40-,41+,42-,43-,44-,47+,48+,49+,50+/m1/s1
Standard InChI (Main Layer) InChI=1S/C50H88O23/c1-9-11-17-20-30(21-18-15-13-12-14-16-19-22-32(53)54)67-48-42(35(57)33(55)27(6)64-48)73-50-43(36(58)34(56)31(23-51)68-50)72-49-44(70-45(62)24(3)10-2)39(61)41(29(8)66-49)71-47-38(60)37(59)40(28(7)65-47)69-46(63)25(4)26(5)52/h24-31,33-44,47-52,55-61H,9-23H2,1-8H3,(H,53,54)

Cluster

Phytochemical cluster
KCF-S cluster No. 87

Link

ChEMBL

By standard InChI CHEMBL444758
By standard InChI Main Layer CHEMBL444758

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 tyrianthina 4119 Convolvulaceae asterids Viridiplantae