input word = C00059740

Metabolite InformationStructural formula
Name Vincarodine
Formula C22H26N2O5
Mw 398.18417196
CAS RN 1362-08-9
C_ID C00059740
InChIKey DFVNOPYNGMIZGL-ZDJNDTJBSA-N
InChICode InChI=1S/C22H26N2O5/c1-4-21-11-22(20(26)28-3)24-15-9-12(27-2)5-6-13(15)14-7-8-23(18(21)17(14)24)10-16(25)19(21)29-22/h5-6,9,16,18-19,25H,4,7-8,10-11H2,1-3H3/t16-,18+,19-,21-,22+/m1/s1;InChI=1S/C22H26N2O5/c1-4-21-11-22(20(26)28-3)24-15-9-12(27-2)5-6-13(15)14-7-8-23(18(21)17(14)24)10-16(25)19(21)29-22/h5-6,9,16,18-19,25H,4,7-8,10-11H2,1-3H3/t16-,18+,19+,21-,22?/m1/s1
SMILES CCC12CC3(C(=O)OC)OC1C(O)CN1CCc4c(n3c3cc(OC)ccc43)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
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