input word = C00026074

Metabolite InformationStructural formula
Name Vallesiachotamine
Formula C21H22N2O3
Mw 350.16304258
CAS RN 5523-37-5
C_ID C00026074 ,
InChIKey NTVLUSJWJRSPSM-MPJBBJCHNA-N
InChICode InChI=1S/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/b13-3-/t16-,19-/m0/s1
SMILES [C@@H]12C[C@H](C(=CN1CCc1c2[nH]c2c1cccc2)C(=O)OC)/C(=C/C)/C=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia scholaris Ref.
PlantaeApocynaceaeCatharanthus roseus Ref.
PlantaeApocynaceaeRauwolfia verticillata Ref.
PlantaeApocynaceaeTabernaemontana psorocarpa (Pierre ex Stapf)Pichon Ref.
PlantaeRubiaceaeChimarrhis turbinata Ref.
PlantaeRubiaceaeUncaria rhynchophylla Ref.
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