PCIDB

KNApSAcK Metabolite C00027042

Metabolite

KNApSAcK Entry

id C00027042
Name Brachystemin E
CAS RN 393510-96-8
Standard InChI InChI=1S/C45H66N10O9/c1-7-24(4)36-42(61)48-23-35(57)54-18-12-16-32(54)40(59)51-37(25(5)8-2)43(62)49-30(20-27-22-47-29-15-11-10-14-28(27)29)39(58)50-31(21-34(46)56)45(64)55-19-13-17-33(55)41(60)52-38(26(6)9-3)44(63)53-36/h10-11,14-15,22,24-26,30-33,36-38,47H,7-9,12-13,16-21,23H2,1-6H3,(H2,46,56)(H,48,61)(H,49,62)(H,50,58)(H,51,59)(H,52,60)(H,53,63)/t24-,25?,26?,30-,31-,32-,33-,36-,37-,38-/m0/s1
Standard InChI (Main Layer) InChI=1S/C45H66N10O9/c1-7-24(4)36-42(61)48-23-35(57)54-18-12-16-32(54)40(59)51-37(25(5)8-2)43(62)49-30(20-27-22-47-29-15-11-10-14-28(27)29)39(58)50-31(21-34(46)56)45(64)55-19-13-17-33(55)41(60)52-38(26(6)9-3)44(63)53-36/h10-11,14-15,22,24-26,30-33,36-38,47H,7-9,12-13,16-21,23H2,1-6H3,(H2,46,56)(H,48,61)(H,49,62)(H,50,58)(H,51,59)(H,52,60)(H,53,63)

Cluster

Phytochemical cluster
KCF-S cluster No. 1183

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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