PCIDB

KNApSAcK Metabolite C00046968

Metabolite

KNApSAcK Entry

id C00046968
Name Watterose E / (-)-Watterose E
CAS RN 292137-15-6
Standard InChI InChI=1S/C54H64O30/c1-24(57)73-21-35-40(65)43(68)45(70)52(77-35)80-47-46(79-38(63)16-12-27-10-14-30(60)32(18-27)72-3)36(22-74-25(2)58)78-53(48(47)81-51-44(69)42(67)39(64)33(19-55)76-51)84-54(23-75-37(62)15-11-26-9-13-29(59)31(61)17-26)49(41(66)34(20-56)83-54)82-50(71)28-7-5-4-6-8-28/h4-18,33-36,39-49,51-53,55-56,59-61,64-70H,19-23H2,1-3H3/b15-11+,16-12+/t33-,34-,35-,36-,39-,40-,41-,42+,43+,44-,45-,46-,47+,48-,49+,51+,52+,53-,54+/m1/s1
Standard InChI (Main Layer) InChI=1S/C54H64O30/c1-24(57)73-21-35-40(65)43(68)45(70)52(77-35)80-47-46(79-38(63)16-12-27-10-14-30(60)32(18-27)72-3)36(22-74-25(2)58)78-53(48(47)81-51-44(69)42(67)39(64)33(19-55)76-51)84-54(23-75-37(62)15-11-26-9-13-29(59)31(61)17-26)49(41(66)34(20-56)83-54)82-50(71)28-7-5-4-6-8-28/h4-18,33-36,39-49,51-53,55-56,59-61,64-70H,19-23H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 181

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
Polygalaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Polygala wattersii 4275 Polygalaceae rosids Viridiplantae