PCIDB

KNApSAcK Metabolite C00031235

Metabolite

KNApSAcK Entry

id C00031235
Name Rubianol b
CAS RN 551930-32-6
Standard InChI InChI=1S/C32H50O6/c1-17(2)20-13-22(35)26-31(8)10-9-19-25(30(31,7)11-12-32(20,26)16-38-18(3)33)21(34)14-24-28(4,5)27(37)23(36)15-29(19,24)6/h9,17,20-26,34-36H,10-16H2,1-8H3/t20-,21-,22+,23+,24-,25-,26+,29+,30-,31+,32+/m0/s1
Standard InChI (Main Layer) InChI=1S/C32H50O6/c1-17(2)20-13-22(35)26-31(8)10-9-19-25(30(31,7)11-12-32(20,26)16-38-18(3)33)21(34)14-24-28(4,5)27(37)23(36)15-29(19,24)6/h9,17,20-26,34-36H,10-16H2,1-8H3

Cluster

Phytochemical cluster
KCF-S cluster No. 681

Link

ChEMBL

By standard InChI CHEMBL460714
By standard InChI Main Layer CHEMBL460714

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