input word = C00050970

Metabolite InformationStructural formula
Name Isoochotensine
Formula C21H21NO4
Mw 351.14705817
CAS RN 112642-44-1
C_ID C00050970
InChIKey JOCZITYCUXJNFR-RNZRUAGMNA-N
InChICode InChI=1S/C21H21NO4/c1-12-14-4-5-18-20(26-11-25-18)15(14)10-21(12)16-9-17(23)19(24-3)8-13(16)6-7-22(21)2/h4-5,8-9,23H,1,6-7,10-11H2,2-3H3/t21-/m0/s1
SMILES C=C1c2ccc3c(c2C[C@@]12c1cc(O)c(OC)cc1CCN2C)OCO3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFumariaceaeCorydalis ochotensis Ref.
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OrganismCorydalis ochotensis
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)