input word = C00024021

Metabolite InformationStructural formula
Name (+)-Paxillarine B
Formula C33H50N2O4
Mw 538.3770581
CAS RN 145022-90-8
C_ID C00024021 ,
InChIKey ZXYJHHCDYJHFRI-FXOZUSTCNA-N
InChICode InChI=1S/C33H50N2O4/c1-20(34(5)6)24-15-16-25-23-13-14-26-30(39-21(2)36)28(35(7)31(38)22-11-9-8-10-12-22)17-18-32(26,3)27(23)19-29(37)33(24,25)4/h8-12,20,23-30,37H,13-19H2,1-7H3/t20-,23-,24+,25-,26-,27-,28+,29+,30+,32-,33+/m0/s1
SMILES CC(=O)O[C@H]1[C@H](N(C)C(=O)c2ccccc2)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@]4(C)[C@@H](C[C@H](O)[C@@H]4C(C)N(C)C)[C@@H]3CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeBuxaceaePachysandra axillaris FRANCH Ref.
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