PCIDB

KNApSAcK Metabolite C00031238

Metabolite

KNApSAcK Entry

id C00031238
Name Rubianol e
CAS RN 551930-38-2
Standard InChI InChI=1S/C34H54O7/c1-18(2)22-14-24(38)28-33(9)11-10-21-27(32(33,8)12-13-34(22,28)17-40-19(3)35)23(37)15-26-30(5,6)29(39)25(41-20(4)36)16-31(21,26)7/h10,18,22-29,37-39H,11-17H2,1-9H3/t22-,23-,24+,25+,26-,27-,28+,29-,31+,32-,33+,34+/m0/s1
Standard InChI (Main Layer) InChI=1S/C34H54O7/c1-18(2)22-14-24(38)28-33(9)11-10-21-27(32(33,8)12-13-34(22,28)17-40-19(3)35)23(37)15-26-30(5,6)29(39)25(41-20(4)36)16-31(21,26)7/h10,18,22-29,37-39H,11-17H2,1-9H3

Cluster

Phytochemical cluster
KCF-S cluster No. 681

Link

ChEMBL

By standard InChI CHEMBL506046
By standard InChI Main Layer CHEMBL506046

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Rubia yunnanensis 25473 Rubiaceae asterids Viridiplantae