input word = C00002193

Metabolite InformationStructural formula
Name Quinine
Formula C20H24N2O2
Mw 324.18377803
CAS RN 130-95-0
C_ID C00002193 ,
InChIKey LOUPRKONTZGTKE-GZJAXPACNA-N
InChICode InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
SMILES c1(ccc2c(c1)c(ccn2)[C@H]([C@H]1N2C[C@@H]([C@H](C1)CC2)C=C)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiDiaporthaceaeDiaporthe sp. CLF-J Ref.
PlantaeRubiaceaeCinchona ledgariana Ref.
PlantaeRubiaceaeCinchona ledgeriana Ref.
PlantaeRubiaceaeCinchona officinalis Ref.
PlantaeRubiaceaeCinchona pelletierana Wedd. Ref.
PlantaeRubiaceaeCinchona pubescens Ref.
PlantaeRubiaceaeCinchona robusta Ref.
PlantaeRubiaceaeCinchona rosulenta Ref.
PlantaeRubiaceaeCinchona succirubra Ref.
PlantaeRubiaceaeRemijia pedunculata Ref.
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