input word = C00028113

Metabolite InformationStructural formula
Name Cycleanine N-oxide
Cycleanine, 2-oxide
Formula C38H42N2O7
Mw 638.29920171
CAS RN 85805-55-6
C_ID C00028113 ,
InChIKey BJIBONWGTYBODI-UHFFFAOYNA-N
InChICode InChI=1S/C38H42N2O7/c1-39-17-15-25-21-31(42-3)35(44-5)37-33(25)29(39)19-23-7-11-28(12-8-23)47-38-34-26(22-32(43-4)36(38)45-6)16-18-40(2,41)30(34)20-24-9-13-27(46-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-,40-/m0/s1
SMILES c12cc(c(c3c1[C@@H](N(=O)(CC2)C)Cc1ccc(cc1)Oc1c(c(cc2c1[C@@H](N(CC2)C)Cc1ccc(O3)cc1)OC)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeEpinetrum villosum Ref.
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