PCIDB

KNApSAcK Metabolite C00045027

Metabolite

KNApSAcK Entry

id C00045027
Name Prunasin 2',3',4',6'-tetra-O-gallate / (+)-Prunasin 2',3',4',6'-tetra-O-gallate
CAS RN 404835-33-2
Standard InChI InChI=1S/C42H33NO22/c43-14-29(16-4-2-1-3-5-16)61-42-37(65-41(59)20-12-27(50)34(55)28(51)13-20)36(64-40(58)19-10-25(48)33(54)26(49)11-19)35(63-39(57)18-8-23(46)32(53)24(47)9-18)30(62-42)15-60-38(56)17-6-21(44)31(52)22(45)7-17/h1-13,29-30,35-37,42,44-55H,15H2/t29-,30+,35+,36-,37+,42+/m0/s1
Standard InChI (Main Layer) InChI=1S/C42H33NO22/c43-14-29(16-4-2-1-3-5-16)61-42-37(65-41(59)20-12-27(50)34(55)28(51)13-20)36(64-40(58)19-10-25(48)33(54)26(49)11-19)35(63-39(57)18-8-23(46)32(53)24(47)9-18)30(62-42)15-60-38(56)17-6-21(44)31(52)22(45)7-17/h1-13,29-30,35-37,42,44-55H,15H2

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