input word = C00040772

Metabolite InformationStructural formula
Name 16-epi-Deacetylakuammiline N(4)-oxide
Formula C21H24N2O4
Mw 368.17360727
CAS RN 221149-27-5
C_ID C00040772 ,
InChIKey HRARARDBRKOTJJ-CQHDPPIYNA-N
InChICode InChI=1S/C21H24N2O4/c1-3-13-11-23(26)9-8-20-14-6-4-5-7-16(14)22-18(20)17(23)10-15(13)21(20,12-24)19(25)27-2/h3-7,15,17,24H,8-12H2,1-2H3/b13-3-/t15-,17-,20+,21-,23+/m0/s1
SMILES [C@]123C(=Nc4c2cccc4)[C@H]2N(=O)(CC1)C/C(=C/C)/[C@H](C2)[C@@]3(CO)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeKopsia griffithii Ref.
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