input word = C00011219

Metabolite InformationStructural formula
Name Molliclavine
Formula C16H18N2O2
Mw 270.13682783
CAS RN 6858-92-0
C_ID C00011219 ,
InChIKey VKTQBNRQJYBKMU-UHFFFAOYNA-N
InChICode InChI=1S/C16H18N2O2/c1-18-7-10(8-19)16(20)15-11-3-2-4-12-14(11)9(6-17-12)5-13(15)18/h2-4,6,13,15,17,19-20H,5,7-8H2,1H3/t13-,15+/m1/s1
SMILES CN1CC(CO)=C(O)C2c3cccc4[nH]cc(c34)CC21
Start Substs in Alk. Biosynthesis (Prediction) L-Trp IPP
Organism
Kingdom Family Species Reference
PlantaePoaceaeElymus mollis Ref.
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