CHEBI:5539 - Graphinone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Graphinone
ChEBI ID CHEBI:5539
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H24O5
Net Charge 0
Average Mass 296.359
Monoisotopic Mass 296.16237
InChI InChI=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
InChIKey NESRXFGQJARQNM-LQFWQHRQSA-N
SMILES CO[C@@H]1C(=O)CC[C@]2(CO2)[C@@]1(O)[C@@]1(C)O[C@@H]1CC=C(C)C
ChEBI Ontology
Outgoing Graphinone (CHEBI:5539) is a cyclohexanones (CHEBI:23482)
Synonyms Sources
Graphinone KEGG COMPOUND
Ovalicin KEGG COMPOUND
Manual Xrefs Databases
C00003137 KNApSAcK
C09674 KEGG COMPOUND
View more database links
Registry Number Type Source
19683-98-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014