input word = C00050958

Metabolite InformationStructural formula
Name Isomitraphyllic acid
Formula C20H22N2O4
Mw 354.15795721
CAS RN 152887-08-6
C_ID C00050958
InChIKey BLXUPISDXRFTCK-XMMIBOLVNA-N
InChICode InChI=1S/C20H22N2O4/c1-11-13-9-22-7-6-20(15-4-2-3-5-16(15)21-19(20)25)17(22)8-12(13)14(10-26-11)18(23)24/h2-5,10-13,17H,6-9H2,1H3,(H,21,25)(H,23,24)/t11-,12-,13+,17-,20-/m0/s1
SMILES C[C@@H]1OC=C(C(=O)O)[C@H]2C[C@@H]3N(CC[C@@]34C(=O)Nc3ccccc34)C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeUncaria sinensis Ref.
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