input word = C00027414

Metabolite InformationStructural formula
Name Michellamine E
Formula C47H50N2O8
Mw 770.35671659
CAS RN 191539-53-4
C_ID C00027414 ,
InChIKey BWDHNUUYBZPQFQ-UHFFFAOYNA-N
InChICode InChI=1S/C47H50N2O8/c1-20-10-26-28(42-32-14-22(3)48-24(5)40(32)34(50)18-36(42)52)16-30(46(54)44(26)38(12-20)56-8)31-17-29(27-11-21(2)13-39(57-9)45(27)47(31)55)43-33-15-23(4)49(7)25(6)41(33)35(51)19-37(43)53/h10-13,16-19,22-25,48,50-55H,14-15H2,1-9H3/t22-,23+,24-,25+/m0/s1
SMILES COc1cc(C)cc2c(-c3c(O)cc(O)c4c3CC(C)NC4C)cc(-c3cc(-c4c(O)cc(O)c5c4CC(C)N(C)C5C)c4cc(C)cc(OC)c4c3O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate L-Phe
Organism
Kingdom Family Species Reference
PlantaeAncistrocladaceaeAncistrocladus korupensis Ref.
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