PCIDB

KNApSAcK Metabolite C00037948

Metabolite

KNApSAcK Entry

id C00037948
Name Trilobatin I / (-)-Trilobatin I
CAS RN 543724-90-9
Standard InChI InChI=1S/C43H42O23/c44-14-28(52)37-39(65-33(54)6-2-16-1-4-21(45)23(47)7-16)31(13-32(63-37)41(58)59)64-43(61)35-20(42(60)66-38-30(12-27(51)40(56)57)62-15-29(53)36(38)55)8-18-10-25(49)26(50)11-19(18)34(35)17-3-5-22(46)24(48)9-17/h1-11,13,27-31,34-39,44-53,55H,12,14-15H2,(H,56,57)(H,58,59)/b6-2+/t27?,28?,29-,30-,31+,34+,35+,36-,37+,38-,39+/m0/s1
Standard InChI (Main Layer) InChI=1S/C43H42O23/c44-14-28(52)37-39(65-33(54)6-2-16-1-4-21(45)23(47)7-16)31(13-32(63-37)41(58)59)64-43(61)35-20(42(60)66-38-30(12-27(51)40(56)57)62-15-29(53)36(38)55)8-18-10-25(49)26(50)11-19(18)34(35)17-3-5-22(46)24(48)9-17/h1-11,13,27-31,34-39,44-53,55H,12,14-15H2,(H,56,57)(H,58,59)

Cluster

Phytochemical cluster
KCF-S cluster No. 3325

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
Embryophyta 1

Family

family name count
Lepidoziaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Bazzania trilobata 13808 Lepidoziaceae Embryophyta Viridiplantae