input word = C00052359

Metabolite InformationStructural formula
Name Neohydroxylunine
Formula C16H17NO5
Mw 303.11067266
CAS RN 55812-52-7
C_ID C00052359
InChIKey KKFVJTACGUTIQR-UHFFFAOYSA-N
InChICode InChI=1S/C16H17NO5/c1-16(2)11(18)6-9-13(19)8-4-5-10-14(21-7-20-10)12(8)17(3)15(9)22-16/h4-5,11,18H,6-7H2,1-3H3
SMILES Cn1c2c(c(=O)c3ccc4c(c31)OCO4)CC(O)C(C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePtelea trifoliata Ref.
zoom in