PCIDB

KNApSAcK Metabolite C00036289

Metabolite

KNApSAcK Entry

id C00036289
Name (-)-Simulanol
CAS RN 500574-38-9
Standard InChI InChI=1S/C21H24O7/c1-25-16-9-13(10-17(26-2)19(16)24)20-15(11-23)14-7-12(5-4-6-22)8-18(27-3)21(14)28-20/h4-5,7-10,15,20,22-24H,6,11H2,1-3H3/b5-4+/t15-,20+/m1/s1
Standard InChI (Main Layer) InChI=1S/C21H24O7/c1-25-16-9-13(10-17(26-2)19(16)24)20-15(11-23)14-7-12(5-4-6-22)8-18(27-3)21(14)28-20/h4-5,7-10,15,20,22-24H,6,11H2,1-3H3

Cluster

Phytochemical cluster No. 23
KCF-S cluster No. 215

Link

ChEMBL

By standard InChI CHEMBL253334
By standard InChI Main Layer CHEMBL253334 CHEMBL1761711

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 2

Family

family name count
Rutaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Zanthoxylum integrifoliolum 67937 Rutaceae rosids Viridiplantae
Zanthoxylum simulans 328402 Rutaceae rosids Viridiplantae