PCIDB

KNApSAcK Metabolite C00028334

Metabolite

KNApSAcK Entry

id C00028334
Name Haplophytine
CAS RN 16625-20-0
Standard InChI InChI=1S/C37H40N4O7/c1-38-17-14-34(21-7-5-8-24(42)28(21)41-26(43)10-13-36(38,41)32(34)45)23-19-22-29(31(47-4)30(23)46-3)39(2)25-9-12-33-11-6-16-40-18-15-35(22,25)37(33,40)48-27(44)20-33/h5,7-9,12,19,25,42H,6,10-11,13-18,20H2,1-4H3/t25-,33-,34-,35?,36?,37+/m1/s1
Standard InChI (Main Layer) InChI=1S/C37H40N4O7/c1-38-17-14-34(21-7-5-8-24(42)28(21)41-26(43)10-13-36(38,41)32(34)45)23-19-22-29(31(47-4)30(23)46-3)39(2)25-9-12-33-11-6-16-40-18-15-35(22,25)37(33,40)48-27(44)20-33/h5,7-9,12,19,25,42H,6,10-11,13-18,20H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 5597

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL509289

KEGG

By LinkDB C09208

CTD

By CAS RN