input word = C00037277

Metabolite InformationStructural formula
Name Huajiaosimuline
Formula C20H23NO3
Mw 325.16779361
CAS RN 155416-21-0
C_ID C00037277 ,
InChIKey NYATVLNHGXEKDI-UHFFFAOYNA-N
InChICode InChI=1S/C20H23NO3/c1-13(2)17(22)10-12-20(3)11-9-15-18(24-20)14-7-5-6-8-16(14)21(4)19(15)23/h5-9,11,13H,10,12H2,1-4H3/t20-/m0/s1
SMILES c12c(n(c(=O)c3c1O[C@](C=C3)(C)CCC(=O)C(C)C)C)cccc2
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRutaceaeZanthoxylum simulans Ref.
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OrganismZanthoxylum simulans
ReferenceYang,Phytochem.,60,(2002),567