PCIDB

KNApSAcK Metabolite C00001609

Metabolite

KNApSAcK Entry

id C00001609
Name Acetylbrowniine
CAS RN 65601-04-9
Standard InChI InChI=1S/C27H43NO8/c1-7-28-12-24(13-32-3)9-8-18(34-5)26-16-10-15-17(33-4)11-25(30,19(16)20(15)36-14(2)29)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17+,18+,19-,20+,21-,22+,23?,24?,25-,26+,27-/m1/s1
Standard InChI (Main Layer) InChI=1S/C27H43NO8/c1-7-28-12-24(13-32-3)9-8-18(34-5)26-16-10-15-17(33-4)11-25(30,19(16)20(15)36-14(2)29)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3

Cluster

Phytochemical cluster No. 10
KCF-S cluster No. 31

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL398904

KEGG

By LinkDB C08654

CTD

By CAS RN