PCIDB

KNApSAcK Metabolite C00014589

Metabolite

KNApSAcK Entry

id C00014589
Name Precarthamin
CAS RN 168216-23-7
Standard InChI InChI=1S/C44H44O24/c45-13-21-28(51)32(55)34(57)40(67-21)43(65)36(59)23(19(49)11-5-15-1-7-17(47)8-2-15)30(53)26(38(43)61)25(42(63)64)27-31(54)24(20(50)12-6-16-3-9-18(48)10-4-16)37(60)44(66,39(27)62)41-35(58)33(56)29(52)22(14-46)68-41/h1-12,21-22,25,28-29,32-35,40-41,45-48,51-52,55-62,65-66H,13-14H2,(H,63,64)/b11-5+,12-6+/t21-,22?,25?,28-,29-,32?,33+,34?,35?,40-,41-,43?,44?/m1/s1
Standard InChI (Main Layer) InChI=1S/C44H44O24/c45-13-21-28(51)32(55)34(57)40(67-21)43(65)36(59)23(19(49)11-5-15-1-7-17(47)8-2-15)30(53)26(38(43)61)25(42(63)64)27-31(54)24(20(50)12-6-16-3-9-18(48)10-4-16)37(60)44(66,39(27)62)41-35(58)33(56)29(52)22(14-46)68-41/h1-12,21-22,25,28-29,32-35,40-41,45-48,51-52,55-62,65-66H,13-14H2,(H,63,64)

Cluster

Phytochemical cluster
KCF-S cluster No. 2732

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
Asteraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Carthamus tinctorius 4222 Asteraceae asterids Viridiplantae