CHEBI:91696 - 2-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-5,5-dimethylcyclohexane-1,3-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-5,5-dimethylcyclohexane-1,3-dione
ChEBI ID CHEBI:91696
Stars This entity has been manually annotated by a third party.
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Formula C23H26O4
Net Charge 0
Average Mass 366.451
Monoisotopic Mass 366.183
InChI InChI=1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19-20H,9-12H2,1-4H3
InChIKey XQDXIHYKAGHZRX-UHFFFAOYSA-N
SMILES CC1(CC(=O)C(C(=O)C1)C2C3=CC=CC=C3OC4=C2C(=O)CC(C4)(C)C)C
ChEBI Ontology
Outgoing 2-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-5,5-dimethylcyclohexane-1,3-dione (CHEBI:91696) is a xanthenes (CHEBI:38835)
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