input word = C00025954

Metabolite InformationStructural formula
Name Neotrilobine
(-)-Neotrilobine
Formula C27H26N2O5
Mw 458.18417196
CAS RN 158371-93-8
C_ID C00025954 ,
InChIKey YOBFMHSMJZZTDC-GNLPSFAGNA-N
InChICode InChI=1S/C27H26N2O5/c1-29-10-8-17-13-23(32-2)25-26(24(17)20(29)11-15-3-5-18(30)6-4-15)34-22-14-19-16(12-21(22)33-25)7-9-28-27(19)31/h3-6,12-14,20,30H,7-11H2,1-2H3,(H,28,31)/t20-/m0/s1
SMILES COc1cc2c(c3c1Oc1cc4c(cc1O3)C(=O)NCC4)[C@H](Cc1ccc(O)cc1)N(C)CC2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeCocculus trilobus DC. Ref.
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