input word = C00025185

Metabolite InformationStructural formula
Name Javaphylline
Formula C22H26N2O5
Mw 398.18417196
CAS RN 17138-12-4
C_ID C00025185 ,
InChIKey JJULGHMVSNYSLR-CPPORBHANA-N
InChICode InChI=1S/C22H26N2O5/c1-12-14-10-24-8-7-22(18(24)9-13(14)15(11-29-12)20(25)28-3)19-16(23-21(22)26)5-4-6-17(19)27-2/h4-6,11-14,18H,7-10H2,1-3H3,(H,23,26)/t12-,13-,14+,18-,22+/m0/s1
SMILES c1ccc2c(c1OC)[C@]1(C(=O)N2)[C@H]2N(CC1)C[C@H]1[C@H](C2)C(=CO[C@H]1C)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMitragyna japonica Ref.
PlantaeRubiaceaeMitragyna javanica Koord.et Val.var.microphylla Craib Ref.
PlantaeRubiaceaeMitragyna speciosa Korth. Ref.
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OrganismMitragyna speciosa Korth.
ReferenceShellard,Planta Med.,34,(1978),253