PCIDB

KNApSAcK Metabolite C00040563

Metabolite

KNApSAcK Entry

id C00040563
Name Trigonotin C / (+)-Trigonotin C
CAS RN 1036375-80-0
Standard InChI InChI=1S/C33H38O18/c1-44-16-7-12(4-5-15(16)36)20-21-13(8-17(45-2)24(38)28(21)46-3)6-14-22(20)31(43)49-29-25(39)19(10-47-30(14)42)50-33(29,11-35)51-32-27(41)26(40)23(37)18(9-34)48-32/h4-8,18-20,22-23,25-27,29,32,34-41H,9-11H2,1-3H3/t18-,19-,20-,22+,23-,25-,26+,27-,29+,32-,33?/m1/s1
Standard InChI (Main Layer) InChI=1S/C33H38O18/c1-44-16-7-12(4-5-15(16)36)20-21-13(8-17(45-2)24(38)28(21)46-3)6-14-22(20)31(43)49-29-25(39)19(10-47-30(14)42)50-33(29,11-35)51-32-27(41)26(40)23(37)18(9-34)48-32/h4-8,18-20,22-23,25-27,29,32,34-41H,9-11H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1471

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
Boraginaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Trigonotis peduncularis 203766 Boraginaceae asterids Viridiplantae