input word = C00064497

Metabolite InformationStructural formula
Name Isorotundifoline
Formula C22H28N2O5
Mw 400.19982202
CAS RN 6884-20-4
C_ID C00064497
InChIKey IXWWTVSMMIIIFZ-JCIDKMOXSA-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-/m0/s1
SMILES CCC1CN2CCC3(C(=O)Nc4cccc(O)c43)C2CC1C(=COC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMitragyna speciosa Ref.
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