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 c12c(c(c(cc1O)O)c1c3c(c(c(c1)c1cc(c4c(c1O)c(cc(c4)C)OC)c1c4c(c(cc1O)O)[C@H](N([C@@H](C4)C)C)C)O)c(cc(c3)C)OC)C[C@@H](N[C@H]2C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate L-Phe
Organism
Kingdom Family Species Reference
PlantaeAncistrocladaceaeAncistrocladus korupensis Ref.
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