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CHEBI:5539 - Graphinone

ChEBI IDCHEBI:5539
ChEBI NameGraphinone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H24O5
Net Charge0
Average Mass296.363
Monoisotopic Mass296.16237
SMILESCO[C@@H]1C(=O)CC[C@]2(CO2)[C@@]1(O)[C@@]1(C)O[C@@H]1CC=C(C)C
InChIInChI=1S/C16H24O5/c1-10(2)5-6-12-14(3,21-12)16(18)13(19-4)11(17)7-8-15(16)9-20-15/h5,12-13,18H,6-9H2,1-4H3/t12?,13-,14+,15+,16+/m1/s1
InChIKeyNESRXFGQJARQNM-LQFWQHRQSA-N
ChEBI Ontology
Outgoing Relation(s)
Graphinone (CHEBI:5539) is a cyclohexanones (CHEBI:23482)
Synonyms  Source
GraphinoneKEGG COMPOUND
OvalicinKEGG COMPOUND
Manual XrefsDatabases
C09674KEGG COMPOUND
C00003137KNApSAcK
Registry NumbersSources
CAS:19683-98-8KEGG COMPOUND