input word = C00053939

Metabolite InformationStructural formula
Name Aristolodione
Formula C18H13NO4
Mw 307.08445791
CAS RN 109771-09-7
C_ID C00053939
InChIKey JGDZUWXHWYXMSD-UHFFFAOYSA-N
InChICode InChI=1S/C18H13NO4/c1-19-12-7-9-5-3-4-6-10(9)15-14(12)11(16(21)18(19)22)8-13(20)17(15)23-2/h3-8,20H,1-2H3
SMILES COc1c(O)cc2c3c(cc4ccccc4c13)N(C)C(=O)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePiperaceaePiper longum Ref.
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OrganismPiper longum
ReferenceAkasu, M. et al., Tet. Lett., 1974, 3609 (uv, ir, pmr, ms, struct)