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CHEBI:3302 - Calaxin

ChEBI IDCHEBI:3302
ChEBI NameCalaxin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H20O6
Net Charge0
Average Mass344.363
Monoisotopic Mass344.12599
SMILES[H][C@@]12/C=C(/C)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)C(=C)C)[C@@]1([H])C(=C)C(=O)O2)O3
InChIInChI=1S/C19H20O6/c1-9(2)17(21)24-14-8-19(5)15(20)7-12(25-19)10(3)6-13-16(14)11(4)18(22)23-13/h6-7,13-14,16H,1,4,8H2,2-3,5H3/b10-6-/t13-,14-,16+,19-/m1/s1
InChIKeyRYBHZNMPMHOBAR-IRNKKCRZSA-N
ChEBI Ontology
Outgoing Relation(s)
Calaxin (CHEBI:3302) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
CalaxinKEGG COMPOUND
Manual XrefsDatabases
C09353KEGG COMPOUND
C00003227KNApSAcK
Registry NumbersSources
CAS:30412-86-3KEGG COMPOUND