PCIDB

KNApSAcK Metabolite C00040561

Metabolite

KNApSAcK Entry

id C00040561
Name Trigonotin A / (+)-Trigonotin A
CAS RN 1036375-78-6
Standard InChI InChI=1S/C35H40O19/c1-13(37)49-10-20-25(39)28(42)29(43)34(51-20)54-35(12-36)31-27(41)21(53-35)11-50-32(44)16-7-15-9-19(47-3)26(40)30(48-4)23(15)22(24(16)33(45)52-31)14-5-6-17(38)18(8-14)46-2/h5-9,20-22,24-25,27-29,31,34,36,38-43H,10-12H2,1-4H3/t20-,21-,22-,24+,25-,27-,28+,29-,31+,34-,35?/m1/s1
Standard InChI (Main Layer) InChI=1S/C35H40O19/c1-13(37)49-10-20-25(39)28(42)29(43)34(51-20)54-35(12-36)31-27(41)21(53-35)11-50-32(44)16-7-15-9-19(47-3)26(40)30(48-4)23(15)22(24(16)33(45)52-31)14-5-6-17(38)18(8-14)46-2/h5-9,20-22,24-25,27-29,31,34,36,38-43H,10-12H2,1-4H3

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