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CHEBI:2169 - 6-Acetylpicropolin

Default Structure
ChEBI IDCHEBI:2169
ChEBI Name6-Acetylpicropolin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC24H28O9
Net Charge0
Average Mass460.479
Monoisotopic Mass460.17333
SMILES[H][C@]12CCC[C@]3(CO3)[C@]1(COC(C)=O)[C@@H](OC(C)=O)C(=O)[C@@H](C)[C@]21C[C@@H](c2ccoc2)OC1=O
InChIInChI=1S/C24H28O9/c1-13-19(27)20(32-15(3)26)24(12-30-14(2)25)18(5-4-7-22(24)11-31-22)23(13)9-17(33-21(23)28)16-6-8-29-10-16/h6,8,10,13,17-18,20H,4-5,7,9,11-12H2,1-3H3/t13-,17+,18-,20+,22+,23-,24+/m1/s1
InChIKeyOATKJIMDMRXKBR-ATQQKGJMSA-N
ChEBI Ontology
Outgoing Relation(s)
6-Acetylpicropolin (CHEBI:2169) is a cyclohexanones (CHEBI:23482)
Synonym  Source
6-AcetylpicropolinKEGG COMPOUND
Manual XrefsDatabases
C09055KEGG COMPOUND
Registry NumbersSources
CAS:116187-56-5KEGG COMPOUND