input word = C00054850

Metabolite InformationStructural formula
Name Coixspirolactam B
Formula C12H11NO3
Mw 217.07389323
CAS RN 1060659-81-5
C_ID C00054850
InChIKey LQHCRFSEGFPYLD-JMCQJSRRSA-N
InChICode InChI=1S/C12H11NO3/c1-7-12(6-10(14)16-7)8-4-2-3-5-9(8)13-11(12)15/h2-5,7H,6H2,1H3,(H,13,15)/t7-,12-/m1/s1
SMILES O=C1[C@]2([C@@H](C)OC(C2)=O)C3=CC=CC=C3N1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeCoix lachryma-jobi var. ma-yuen Ref.
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