input word = C00063301

Metabolite InformationStructural formula
Name Aurantine
Formula C18H27NO3
Mw 305.19909374
CAS RN 89-43-0
C_ID C00063301
InChIKey BFBPISPWJZMWJN-UHFFFAOYSA-N
InChICode InChI=1S/C18H27NO3/c1-14(8-7-12-18(2,3)21)11-13-19-16-10-6-5-9-15(16)17(20)22-4/h5-6,9-10,13-14,21H,7-8,11-12H2,1-4H3
SMILES COC(=O)c1ccccc1N=CCC(C)CCCC(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus reticulata Ref.
zoom in