PCIDB

KNApSAcK Metabolite C00028161

Metabolite

KNApSAcK Entry

id C00028161
Name Delsemine B
CAS RN 66841-98-3
Standard InChI InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-26(41)14-19(2)31(38)42)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,42)(H,39,41)/t19?,21-,22-,24+,25+,27-,28+,29-,30+,33?,34+,35-,36?,37?/m1/s1
Standard InChI (Main Layer) InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-26(41)14-19(2)31(38)42)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,42)(H,39,41)

Cluster

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

Link

ChEMBL

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KEGG

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CTD

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