input word = C00047199

Metabolite InformationStructural formula
Name Buxmicrophylline F
(+)-Buxmicrophylline F
Formula C37H54N2O4
Mw 590.40835823
CAS RN 1112989-52-2
C_ID C00047199 ,
InChIKey UNALXIWYSATRFG-NCKIDYNCNA-N
InChICode InChI=1S/C37H54N2O4/c1-23(2)31(41)38-29-16-17-36-21-37(36)19-18-34(5)30(24(3)39(7)8)26(43-32(42)25-12-10-9-11-13-25)20-35(34,6)28(37)15-14-27(36)33(29,4)22-40/h9-15,23-24,26-30,40H,16-22H2,1-8H3,(H,38,41)/t24-,26+,27-,28-,29-,30-,33-,34+,35-,36+,37-/m0/s1
SMILES C1[C@]23[C@H]([C@]4([C@](C1)([C@H]([C@@H](C4)OC(=O)c1ccccc1)[C@@H](N(C)C)C)C)C)C=C[C@@H]1[C@@]2(CC[C@@H]([C@]1(CO)C)NC(=O)C(C)C)C3
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus nicrophylla Ref.
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