input word = C00025210

Metabolite InformationStructural formula
Name Speciofoline
Formula C22H28N2O5
Mw 400.19982202
CAS RN 5171-42-6
C_ID C00025210 ,
InChIKey IXWWTVSMMIIIFZ-AEJRVLEZNA-N
InChICode InChI=1S/C22H28N2O5/c1-4-13-11-24-9-8-22(19-16(23-21(22)27)6-5-7-17(19)25)18(24)10-14(13)15(12-28-2)20(26)29-3/h5-7,12-14,18,25H,4,8-11H2,1-3H3,(H,23,27)/b15-12-/t13-,14+,18-,22+/m1/s1
SMILES c1ccc2c(c1O)[C@@]1(C(=O)N2)[C@@H]2N(CC1)C[C@H]([C@H](C2)/C(=C/OC)/C(=O)OC)CC
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMitragyna speciosa Korth. Ref.
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