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CHEBI:6450 - Libanorin

ChEBI IDCHEBI:6450
ChEBI NameLibanorin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H20O5
Net Charge0
Average Mass328.364
Monoisotopic Mass328.13107
SMILES[H][C@@]1(C(C)(C)OC(=O)C=C(C)C)Cc2c(ccc3ccc(=O)oc23)O1
InChIInChI=1S/C19H20O5/c1-11(2)9-17(21)24-19(3,4)15-10-13-14(22-15)7-5-12-6-8-16(20)23-18(12)13/h5-9,15H,10H2,1-4H3/t15-/m0/s1
InChIKeyYCXXSERNLQPDHF-HNNXBMFYSA-N
ChEBI Ontology
Outgoing Relation(s)
Libanorin (CHEBI:6450) is a furanocoumarin (CHEBI:24128)
Synonym  Source
LibanorinKEGG COMPOUND
Manual XrefsDatabases
C09272KEGG COMPOUND
C00002480KNApSAcK
Registry NumbersSources
CAS:27303-26-0KEGG COMPOUND