Metabolite

KNApSAcK Entry

id C00045028
Name Prunasin 2',3',6'-tri-O-gallate / (+)-Prunasin 2',3',6'-tri-O-gallate
CAS RN 404835-31-0
Standard InChI InChI=1S/C35H29NO18/c1-36-31(14-5-3-2-4-6-14)54-35-30(53-34(49)17-11-22(41)27(45)23(42)12-17)29(52-33(48)16-9-20(39)26(44)21(40)10-16)28(46)24(51-35)13-50-32(47)15-7-18(37)25(43)19(38)8-15/h2-12,24,28-31,35,37-46H,13H2/t24-,28-,29+,30-,31-,35+/m1/s1
Standard InChI (Main Layer) InChI=1S/C35H29NO18/c1-36-31(14-5-3-2-4-6-14)54-35-30(53-34(49)17-11-22(41)27(45)23(42)12-17)29(52-33(48)16-9-20(39)26(44)21(40)10-16)28(46)24(51-35)13-50-32(47)15-7-18(37)25(43)19(38)8-15/h2-12,24,28-31,35,37-46H,13H2

Cluster

Phytochemical cluster No. 81
KCF-S cluster No. 448

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Melastomataceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Phyllagathis rotundifolia 119945 Melastomataceae rosids Viridiplantae