input word = C00011220

Metabolite InformationStructural formula
Name Penniclavine
Formula C16H18N2O2
Mw 270.13682783
CAS RN 519-13-1
C_ID C00011220 ,
InChIKey KCHBNRCSCHMJFD-AQPSWHTGNA-N
InChICode InChI=1S/C16H18N2O2/c1-18-8-16(20,9-19)6-12-11-3-2-4-13-15(11)10(7-17-13)5-14(12)18/h2-4,6-7,14,17,19-20H,5,8-9H2,1H3/t14-,16+/m1/s1
SMILES CN1C[C@](O)(CO)C=C2c3cccc4[nH]cc(c34)C[C@H]21
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Ala IPP
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeClaviceps purpurea Ref.
PlantaeConvolvulaceaeArgyreia nervosa Ref.
PlantaeConvolvulaceaeIpomoea hederacea Ref.
PlantaeConvolvulaceaePharbitis nil Ref.
PlantaePoaceaePennisetum typhoideum Ref.
PlantaeRanunculaceaeAconitum pendulum Ref.
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