input word = C00047488

Metabolite InformationStructural formula
Name Lagerine
Formula C25H29NO5
Mw 423.20457304
CAS RN 34532-74-6
C_ID C00047488 ,
InChIKey OBHAUUFTXJOWIW-UHFFFAOYNA-N
InChICode InChI=1S/C25H29NO5/c1-29-22-11-10-20-21-15-19(14-17-4-2-3-13-26(17)21)30-23(27)12-7-16-5-8-18(9-6-16)31-25(20)24(22)28/h5-6,8-11,17,19,21,28H,2-4,7,12-15H2,1H3/t17-,19+,21-/m0/s1
SMILES COc1ccc2c(c1O)Oc1ccc(cc1)CCC(=O)OC1CC3CCCCN3C2C1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeLythraceaeLagerstroemia indica Ref.
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