input word = C00045320

Metabolite InformationStructural formula
Name Hyoscyamide
Formula C36H36N2O8
Mw 624.24716614
CAS RN 404892-30-4
C_ID C00045320 ,
InChIKey FGAVHWSCPSBSMG-NAZWXXJZSA-N
InChICode InChI=1S/C36H36N2O8/c1-45-33-21-25(7-13-31(33)41)19-29(35(43)37-17-15-23-3-9-27(39)10-4-23)30(20-26-8-14-32(42)34(22-26)46-2)36(44)38-18-16-24-5-11-28(40)12-6-24/h3-14,19-22,39-42H,15-18H2,1-2H3,(H,37,43)(H,38,44)/b29-19-,30-20-
SMILES c1(ccc(cc1OC)/C=C(\C(=O)NCCc1ccc(cc1)O)/C(=C/c1cc(c(cc1)O)OC)/C(=O)NCCc1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeHyoscyamus niger Ref.
--Hyosciamus niger Ref.
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OrganismHyosciamus niger
ReferenceMa, et al., Journal of Natural Products, 65, (2002), 206