PCIDB

KNApSAcK Metabolite C00002589

Metabolite

KNApSAcK Entry

id C00002589
Name Austrobailignan 1
CAS RN 55955-07-2
Standard InChI InChI=1S/C21H18O7/c1-23-16-4-11(5-17-20(16)28-9-27-17)18-13-6-15-14(25-8-26-15)3-10(13)2-12-7-24-21(22)19(12)18/h3-6,12,18-19H,2,7-9H2,1H3/t12-,18+,19-/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H18O7/c1-23-16-4-11(5-17-20(16)28-9-27-17)18-13-6-15-14(25-8-26-15)3-10(13)2-12-7-24-21(22)19(12)18/h3-6,12,18-19H,2,7-9H2,1H3

Cluster

Phytochemical cluster No. 21
KCF-S cluster No. 427

Link

ChEMBL

By standard InChI CHEMBL509850
By standard InChI Main Layer CHEMBL509850 CHEMBL455113

KEGG

By LinkDB C10546

CTD

By CAS RN C093023