PCIDB

KNApSAcK Metabolite C00002470

Metabolite

KNApSAcK Entry

id C00002470
Name (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3'4'-dihydroseselin
CAS RN 11350-35-9
Standard InChI InChI=1S/C21H22O8/c1-10-21(5,28-10)19(24)27-18-17(25-11(2)22)15-13(29-20(18,3)4)8-6-12-7-9-14(23)26-16(12)15/h6-10,17-18H,1-5H3/t10?,17-,18-,21?/m1/s1
Standard InChI (Main Layer) InChI=1S/C21H22O8/c1-10-21(5,28-10)19(24)27-18-17(25-11(2)22)15-13(29-20(18,3)4)8-6-12-7-9-14(23)26-16(12)15/h6-10,17-18H,1-5H3

Cluster

Phytochemical cluster No. 25
KCF-S cluster No. 224

Link

ChEMBL

By standard InChI CHEMBL69235
By standard InChI Main Layer CHEMBL69235

KEGG

By LinkDB C09262

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Apiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Angelica shikokiana 1080328 Apiaceae asterids Viridiplantae