input word = C00047201

Metabolite InformationStructural formula
Name Buxmicrophylline H
(+)-Buxmicrophylline H
Formula C35H54N2O6
Mw 598.39818747
CAS RN 1112989-53-3
C_ID C00047201 ,
InChIKey DLMNMDWSPBXDSA-OTZLPEDUNA-N
InChICode InChI=1S/C35H54N2O6/c1-20(37(5)6)28-22(39)17-33(4)26-10-9-25-31(2,19-38)27(11-12-34(25)18-35(26,34)14-13-32(28,33)3)36-30(41)21-15-23(42-7)29(40)24(16-21)43-8/h15-16,20,22,25-28,38-40H,9-14,17-19H2,1-8H3,(H,36,41)/t20-,22+,25-,26-,27-,28-,31-,32+,33-,34+,35-/m0/s1
SMILES COc1cc(C(=O)N[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus nicrophylla Ref.
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