input word = C00028441

Metabolite InformationStructural formula
Name Labrandine
Formula C18H23NO4
Mw 317.16270823
CAS RN 128581-42-0
C_ID C00028441 ,
InChIKey QBOCZBFZMRLKDH-UHFFFAOYNA-N
InChICode InChI=1S/C18H23NO4/c1-19-6-4-10-7-12(20)16-15-14(10)11(19)8-17(15)5-3-13(21)18(9-17,22-2)23-16/h7,11,13,20-21H,3-6,8-9H2,1-2H3/t11-,13+,17-,18+/m1/s1
SMILES c1(c2c3c4c(c1)CCN([C@@H]4C[C@@]13C[C@](O2)([C@H](CC1)O)OC)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaePapaveraceaeRoemeria hybrida Ref.
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