input word = C00028649

Metabolite InformationStructural formula
Name N-Benzoyl-O-acetylbuxalongifoline
Formula C34H46N2O4
Mw 546.34575797
CAS RN 194852-53-4
C_ID C00028649 ,
InChIKey SDNUQXYEIKHCSC-KKIQFVLDNA-N
InChICode InChI=1S/C34H46N2O4/c1-21(35-6)30-28(40-22(2)38)19-34(5)27-14-13-26-24(18-25(27)16-17-33(30,34)4)12-15-29(32(26,3)20-37)36-31(39)23-10-8-7-9-11-23/h7-11,16,18,20-21,26-30,35H,12-15,17,19H2,1-6H3,(H,36,39)/t21-,26+,27+,28+,29-,30-,32-,33+,34-/m0/s1
SMILES CN[C@@H](C)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)[C@@]4(C)C=O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus longifolia Boiss Ref.
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