input word = C00052320

Metabolite InformationStructural formula
Name Hydroxylunine
Formula C16H17NO5
Mw 303.11067266
CAS RN 25488-60-2
C_ID C00052320
InChIKey BMARQBOZFYXSII-LLVKDONJSA-N
InChICode InChI=1S/C16H17NO5/c1-16(2,19)11-6-9-13(18)8-4-5-10-14(21-7-20-10)12(8)17(3)15(9)22-11/h4-5,11,19H,6-7H2,1-3H3/t11-/m1/s1
SMILES Cn1c2c(c(=O)c3ccc4c(c31)OCO4)C[C@H](C(C)(C)O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeLunasia amara Ref.
PlantaeRutaceaeOrixa japonica Ref.
PlantaeRutaceaePtelea trifoliata Ref.
PlantaeRutaceaePtelea trifoliata ssp. Pallida var. confinis Ref.
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OrganismLunasia amara
ReferenceNatural Products Vol.1 ISBN978-3-642-22143-9