input word = C00026802

Metabolite InformationStructural formula
Name Microsclerodermin E
(-)-Microsclerodermin E
Formula C45H54N8O14
Mw 930.37594849
CAS RN 206535-31-1
C_ID C00026802 ,
InChIKey MYODCTYYDHAGCO-YHITUYCSNA-N
InChICode InChI=1S/C45H54N8O14/c1-3-67-26-15-13-24(14-16-26)9-5-4-6-12-33(55)41(61)40-42(62)44(64)51-30-19-35(57)48-31(30)20-38(60)53(2)23-37(59)49-32(18-28-27-10-7-8-11-29(27)50-39(28)45(65)66)43(63)47-22-36(58)46-21-25(54)17-34(56)52-40/h4-11,13-16,20,25,30,32-33,40-42,50,54-55,61-62H,3,12,17-19,21-23H2,1-2H3,(H,46,58)(H,47,63)(H,48,57)(H,49,59)(H,51,64)(H,52,56)(H,65,66)/b6-4+,9-5+,31-20+/t25-,30-,32-,33+,40-,41-,42+/m1/s1
SMILES C\1/2=C\C(=O)N(CC(=O)N[C@@H](C(=O)NCC(=O)NC[C@@H](CC(=O)N[C@@H]([C@@H](C(=O)N[C@@H]1CC(=O)N2)O)[C@@H]([C@H](C/C=C/C=C/c1ccc(cc1)OCC)O)O)O)Cc1c([nH]c2c1cccc2)C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
--Microscleroderma sp. Ref.
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OrganismMicroscleroderma sp.
ReferenceSchmidt,Tetrahedron,54,(1998),7631