PCIDB

KNApSAcK Metabolite C00037016

Metabolite

KNApSAcK Entry

id C00037016
Name Delavaine B
CAS RN 109314-15-0
Standard InChI InChI=1S/C38H54N2O11/c1-8-40-18-35(19-51-33(43)21-11-9-10-12-24(21)39-27(41)15-20(2)32(42)50-7)14-13-26(47-4)37-23-16-22-25(46-3)17-36(44,28(23)29(22)48-5)38(45,34(37)40)31(49-6)30(35)37/h9-12,20,22-23,25-26,28-31,34,44-45H,8,13-19H2,1-7H3,(H,39,41)/t20?,22-,23-,25+,26+,28-,29+,30-,31+,34?,35+,36-,37?,38?/m1/s1
Standard InChI (Main Layer) InChI=1S/C38H54N2O11/c1-8-40-18-35(19-51-33(43)21-11-9-10-12-24(21)39-27(41)15-20(2)32(42)50-7)14-13-26(47-4)37-23-16-22-25(46-3)17-36(44,28(23)29(22)48-5)38(45,34(37)40)31(49-6)30(35)37/h9-12,20,22-23,25-26,28-31,34,44-45H,8,13-19H2,1-7H3,(H,39,41)

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

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