PCIDB

KNApSAcK Metabolite C00008931

Metabolite

KNApSAcK Entry

id C00008931
Name Assamicain C
CAS RN 121795-67-3
Standard InChI InChI=1S/C44H36O22/c45-19-11-22(46)21(23(47)12-19)13-33(64-42(62)17-7-29(53)38(59)30(54)8-17)34(15-4-27(51)37(58)28(52)5-15)35-24(48)6-16-1-20(14-2-25(49)36(57)26(50)3-14)44(65-41(16)40(35)61)66-43(63)18-9-31(55)39(60)32(56)10-18/h2-12,20,33-34,44-61H,1,13H2/t20-,33-,34?,44+/m1/s1
Standard InChI (Main Layer) InChI=1S/C44H36O22/c45-19-11-22(46)21(23(47)12-19)13-33(64-42(62)17-7-29(53)38(59)30(54)8-17)34(15-4-27(51)37(58)28(52)5-15)35-24(48)6-16-1-20(14-2-25(49)36(57)26(50)3-14)44(65-41(16)40(35)61)66-43(63)18-9-31(55)39(60)32(56)10-18/h2-12,20,33-34,44-61H,1,13H2

Cluster

Phytochemical cluster No. 19
KCF-S cluster No. 29

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
Theaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Camellia sinensis var. assamica 261999 Theaceae asterids Viridiplantae