PCIDB

KNApSAcK Metabolite C00040562

Metabolite

KNApSAcK Entry

id C00040562
Name Trigonotin B / (+)-Trigonotin B
CAS RN 1036375-79-7
Standard InChI InChI=1S/C34H38O18/c1-13(36)47-10-22-26(39)28(41)29(42)33(49-22)52-34(12-35)30-27(40)23(51-34)11-48-31(43)17-6-15-8-21(46-3)19(38)9-16(15)24(25(17)32(44)50-30)14-4-5-18(37)20(7-14)45-2/h4-9,22-30,33,35,37-42H,10-12H2,1-3H3/t22-,23-,24-,25-,26-,27-,28+,29-,30+,33-,34?/m1/s1
Standard InChI (Main Layer) InChI=1S/C34H38O18/c1-13(36)47-10-22-26(39)28(41)29(42)33(49-22)52-34(12-35)30-27(40)23(51-34)11-48-31(43)17-6-15-8-21(46-3)19(38)9-16(15)24(25(17)32(44)50-30)14-4-5-18(37)20(7-14)45-2/h4-9,22-30,33,35,37-42H,10-12H2,1-3H3

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