input word = C00047714

Metabolite InformationStructural formula
Name Alstoyunine H
(-)-Alstoyunine H
Formula C22H27ClN2O4
Mw 418.16593508
CAS RN 1188932-18-4
C_ID C00047714 ,
InChIKey FFFMVXSVOMZOKB-ZGXROJIXNA-N
InChICode InChI=1S/C22H27ClN2O4/c1-4-21-10-13(19(27)29-3)17-22(14-6-5-12(28-2)9-16(14)24-17)7-8-25(20(21)22)11-15(23)18(21)26/h5-6,9,15,18,20,24,26H,4,7-8,10-11H2,1-3H3/t15-,18+,20+,21-,22+/m1/s1
SMILES N12[C@H]3[C@@]([C@H]([C@@H](C1)Cl)O)(CC(=C1[C@]3(CC2)c2c(N1)cc(cc2)OC)C(=O)OC)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia yunnanensis Ref.
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