PCIDB

KNApSAcK Metabolite C00036002

Metabolite

KNApSAcK Entry

id C00036002
Name 2'beta-Deacetoxyaustrospicatine
CAS RN 119777-80-9
Standard InChI InChI=1S/C39H53NO10/c1-21-29-17-28-18-31(46-23(3)41)22(2)35(38(28,7)8)36(48-25(5)43)37(49-26(6)44)39(29,9)33(47-24(4)42)20-32(21)50-34(45)19-30(40(10)11)27-15-13-12-14-16-27/h12-16,28-33,36-37H,1,17-20H2,2-11H3/t28-,29-,30-,31+,32+,33+,36-,37+,39+/m1/s1
Standard InChI (Main Layer) InChI=1S/C39H53NO10/c1-21-29-17-28-18-31(46-23(3)41)22(2)35(38(28,7)8)36(48-25(5)43)37(49-26(6)44)39(29,9)33(47-24(4)42)20-32(21)50-34(45)19-30(40(10)11)27-15-13-12-14-16-27/h12-16,28-33,36-37H,1,17-20H2,2-11H3

Cluster

Phytochemical cluster
KCF-S cluster No. 538

Link

ChEMBL

By standard InChI CHEMBL445031
By standard InChI Main Layer CHEMBL337967 CHEMBL445031

KEGG

By LinkDB

CTD

By CAS RN