input word = C00026668

Metabolite InformationStructural formula
Name Macrodasine A
Formula C26H34N2O5
Mw 454.24677221
CAS RN 64385-92-8
C_ID C00026668 ,
InChIKey PLQILWGOPQNEFW-YJRNFJNDNA-N
InChICode InChI=1S/C26H34N2O5/c1-25-19(11-26(33-25)23(30)8-14(12-29)32-26)16-9-22-24-17(10-21(27(22)2)18(16)13-31-25)15-6-4-5-7-20(15)28(24)3/h4-7,14,16,18-19,21-23,29-30H,8-13H2,1-3H3/t14-,16-,18-,19+,21+,22+,23-,25+,26-/m1/s1
SMILES CN1[C@H]2C[C@@H]3[C@@H](CO[C@@]4(C)O[C@@]5(C[C@@H]34)O[C@@H](CO)C[C@H]5O)[C@@H]1Cc1c2n(C)c2ccccc12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia macrophylla Ref.
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