input word = C00002298

Metabolite InformationStructural formula
Name Phyllalbine
Formula C16H21NO4
Mw 291.14705817
CAS RN 4540-25-4
C_ID C00002298 ,
InChIKey OZKTVDIYALBSMA-ISUDBTBINA-N
InChICode InChI=1S/C16H21NO4/c1-17-11-4-5-12(17)9-13(8-11)21-16(19)10-3-6-14(18)15(7-10)20-2/h3,6-7,11-13,18H,4-5,8-9H2,1-2H3/t11-,12+,13+
SMILES COc1cc(C(=O)O[C@H]2CC3CC[C@H](C2)N3C)ccc1O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeConvolvulus subhirsutus Ref.
PlantaePhyllanthaceaePhyllanthus discoides Ref.
PlantaeSolanaceaeHyoscyamus albus Ref.
PlantaeSolanaceaeHyoscyamus boveanus Ref.
PlantaeSolanaceaeHyoscyamus desertorum Ref.
PlantaeSolanaceaeHyoscyamus muticus Ref.
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OrganismPhyllanthus discoides
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter30