input word = C00064166

Metabolite InformationStructural formula
Name Methylvingramine
Formula C47H58N4O8
Mw 806.42546486
CAS RN 215316-95-3
C_ID C00064166
InChIKey DHCRCOKIINJIEP-HLKKOQSJSA-N
InChICode InChI=1S/C47H58N4O8/c1-12-25-20-50-16-15-46-30-18-33(56-9)34(23(4)39(30)49(7)47(46,50)14-13-26(25)38(46)45(54)58-11)28-17-27-31(19-32(28)55-8)48(6)40-35(27)37(44(53)57-10)36-29-21-51(43(52)22(2)3)41(40)42(36)59-24(29)5/h12,17-19,22,24,26,29,36-38,41-42H,13-16,20-21H2,1-11H3/b25-12-/t24-,26+,29+,36-,37-,38-,41+,42-,46-,47-/m0/s1
SMILES CC=C1CN2CCC34c5cc(OC)c(-c6cc7c8c(n(C)c7cc6OC)C6C7OC(C)C(CN6C(=O)C(C)C)C7C8C(=O)OC)c(C)c5N(C)C23CCC1C4C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
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