input word = C00002276

Metabolite InformationStructural formula
Name Apohyoscine
Aposcopolamine
Formula C17H19NO3
Mw 285.13649348
CAS RN 535-26-2
C_ID C00002276 ,
InChIKey JJNVDCBKBUSUII-PTWVKLKZNA-N
InChICode InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12-,13-,14+,15-,16+
SMILES N1([C@@H]2C[C@H](C[C@H]1[C@H]1[C@@H]2O1)OC(=O)C(=C)c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeAtropa baetica Ref.
PlantaeSolanaceaeDatura ceratocaula Ref.
PlantaeSolanaceaeDatura meteloides Ref.
PlantaeSolanaceaeDatura stramonium x D.discolor Ref.
PlantaeSolanaceaeDuboisia myoporoides Ref.
PlantaeSolanaceaeHyoscyamus albus Ref.
PlantaeSolanaceaeHyoscyamus boveanus Ref.
PlantaeSolanaceaeHyoscyamus desertorum Ref.
PlantaeSolanaceaeHyoscyamus muticus Ref.
PlantaeSolanaceaeHyoscyamus niger Ref.
PlantaeSolanaceaeMandragora turcomanica Mizger Ref.
PlantaeSolanaceaePhysochlaina alaica Ref.
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OrganismDatura ceratocaula
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 2, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.