PCIDB

KNApSAcK Metabolite C00043157

Metabolite

KNApSAcK Entry

id C00043157
Name 14-Deacetyl-14-isobutyrylajadine / (+)-14-Deacetyl-14-isobutyrylajadine
CAS RN 254876-72-7
Standard InChI InChI=1S/C37H52N2O10/c1-8-39-17-34(18-48-32(42)21-11-9-10-12-24(21)38-20(4)40)14-13-26(46-6)36-23-15-22-25(45-5)16-35(43,27(23)28(22)49-31(41)19(2)3)37(44,33(36)39)30(47-7)29(34)36/h9-12,19,22-23,25-30,33,43-44H,8,13-18H2,1-7H3,(H,38,40)/t22?,23?,25-,26-,27+,28-,29+,30-,33?,34-,35+,36?,37?/m0/s1
Standard InChI (Main Layer) InChI=1S/C37H52N2O10/c1-8-39-17-34(18-48-32(42)21-11-9-10-12-24(21)38-20(4)40)14-13-26(46-6)36-23-15-22-25(45-5)16-35(43,27(23)28(22)49-31(41)19(2)3)37(44,33(36)39)30(47-7)29(34)36/h9-12,19,22-23,25-30,33,43-44H,8,13-18H2,1-7H3,(H,38,40)

Cluster

Phytochemical cluster No. 10
KCF-S cluster No. 166

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

By CAS RN