input word = C00030536

Metabolite InformationStructural formula
Name Isomitraphylline N-oxide
Formula C21H24N2O5
Mw 384.16852189
CAS RN 51920-98-0
C_ID C00030536 ,
InChIKey DTEXPPFMGPLSPX-CKQZDEODNA-N
InChICode InChI=1S/C21H24N2O5/c1-12-14-10-23(26)8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-28-12)19(24)27-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14+,18-,21-,23-/m0/s1
SMILES [C@@H]12C[C@H]3[C@H](CN1(=O)CC[C@@]12c2c(NC1=O)cccc2)[C@@H](OC=C3C(=O)OC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMitragyna hirsuta Ref.
PlantaeRubiaceaeUncaria tomentosa Ref.
zoom in