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CHEBI:3829 - Columbin

ChEBI IDCHEBI:3829
ChEBI NameColumbin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H22O6
Net Charge0
Average Mass358.390
Monoisotopic Mass358.14164
SMILES[H][C@@]12[C@H]3C=C[C@](O)(C(=O)O3)[C@]1(C)CC[C@@]1([H])C(=O)O[C@H](c3ccoc3)C[C@@]21C
InChIInChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13+,14-,15-,18+,19+,20-/m0/s1
InChIKeyAALLCALQGXXWNA-QJNFORGASA-N
ChEBI Ontology
Outgoing Relation(s)
Columbin (CHEBI:3829) is a organic heterotricyclic compound (CHEBI:26979)
Columbin (CHEBI:3829) is a organooxygen compound (CHEBI:36963)
Synonym  Source
ColumbinKEGG COMPOUND
Manual XrefsDatabases
C09077KEGG COMPOUND
C00003417KNApSAcK
Registry NumbersSources
CAS:546-97-4KEGG COMPOUND