PCIDB

KNApSAcK Metabolite C00037949

Metabolite

KNApSAcK Entry

id C00037949
Name Trilobatin J / (-)-Trilobatin J
CAS RN 543725-41-3
Standard InChI InChI=1S/C52H46O26/c53-19-35(63)45-47(77-41(65)9-3-21-1-6-27(55)30(58)11-21)37(17-39(73-45)49(67)68)75-51(71)26-13-24-15-33(61)34(62)16-25(24)43(23-5-8-29(57)32(60)14-23)44(26)52(72)76-38-18-40(50(69)70)74-46(36(64)20-54)48(38)78-42(66)10-4-22-2-7-28(56)31(59)12-22/h1-18,35-38,43-48,53-64H,19-20H2,(H,67,68)(H,69,70)/b9-3+,10-4+/t35?,36?,37-,38-,43-,44-,45-,46-,47-,48-/m1/s1
Standard InChI (Main Layer) InChI=1S/C52H46O26/c53-19-35(63)45-47(77-41(65)9-3-21-1-6-27(55)30(58)11-21)37(17-39(73-45)49(67)68)75-51(71)26-13-24-15-33(61)34(62)16-25(24)43(23-5-8-29(57)32(60)14-23)44(26)52(72)76-38-18-40(50(69)70)74-46(36(64)20-54)48(38)78-42(66)10-4-22-2-7-28(56)31(59)12-22/h1-18,35-38,43-48,53-64H,19-20H2,(H,67,68)(H,69,70)

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