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Cyclic ketones
Description:
Organic compounds containing a ketone that is conjugated to a cyclic moiety.
Ancestors:
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2，5-Diaminocyclohexa-2，5-diene-1，4-dioneCas Number: 1521-06-8 Compound CID: 164848Formula: C6H6N2O2 Molecular Weight: 138.12IUPAC Name: 2,5-diaminocyclohexa-2,5-diene-1,4-dioneSMILES: C1=C(C(=O)C=C(C1=O)N)NInChIKey: VUVVIURXJWHENR-UHFFFAOYSA-NInChI: InChI=1S/C6H6N2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,7-8H2 -
3-ethylcyclopent-2-en-1-oneCas Number: 5682-69-9Formula: C7H10O Molecular Weight: 110.1537SMILES: CCC1=CC(=O)CC1InChIKey: XHAHAEVXYYITIQ-UHFFFAOYSA-NInChI: InChI=1S/C7H10O/c1-2-6-3-4-7(8)5-6/h5H,2-4H2,1H3
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3-Dehydroshikimic acidCas Number: 2922-42-1 Compound CID: 439774Formula: C7H8O5 Molecular Weight: 172.14IUPAC Name: (4S,5R)-4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acidSMILES: C1C(C(C(=O)C=C1C(=O)O)O)OInChIKey: SLWWJZMPHJJOPH-PHDIDXHHSA-NInChI: InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1
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2-hydroxy-3，4-dimethylcyclopent-2-en-1-oneCas Number: 21835-00-7Formula: C7H10O2 Molecular Weight: 126.1531SMILES: CC1CC(=O)C(=C1C)OInChIKey: GXUQPCUHTNAVRJ-UHFFFAOYSA-NInChI: InChI=1S/C7H10O2/c1-4-3-6(8)7(9)5(4)2/h4,9H,3H2,1-2H3
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1，2-CyclopentanedioneCas Number: 3008-40-0Formula: C5H6O2 Molecular Weight: 98.0999SMILES: C1CC(=O)C(=O)C1InChIKey: CIISBNCSMVCNIP-UHFFFAOYSA-NInChI: InChI=1S/C5H6O2/c6-4-2-1-3-5(4)7/h1-3H2
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1,4-Cyclohexanedione-d8Cas Number: 23034-25-5Formula: C6D8O2 Molecular Weight: 120.18IUPAC Name: 2,2,3,3,5,5,6,6-octadeuteriocyclohexane-1,4-dioneSMILES: C1CC(=O)CCC1=OInChIKey: DCZFGQYXRKMVFG-SVYQBANQSA-NInChI: InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2/i1D2,2D2,3D2,4D2Synonyms: 1,4-Cyclohexanedione-2,2,3,3,5,5,6,6-d8 | cyclohexane-1,4-dione-d8
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2，2-Dimethyl-4-oxocyclohexanecarboxylic acidCas Number: 4029-26-9 Compound CID: 52911205IUPAC Name: 2,2-dimethyl-4-oxocyclohexane-1-carboxylic acidSMILES: CC1(CC(=O)CCC1C(=O)O)CInChIKey: NZSQDCPBCNZMHB-UHFFFAOYSA-NInChI: InChI=1S/C9H14O3/c1-9(2)5-6(10)3-4-7(9)8(11)12/h7H,3-5H2,1-2H3,(H,11,12)
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2-Methoxy-6-methylcyclohexa-2,5-diene-1,4-dioneCas Number: 611-68-7 Compound CID: 101355Formula: C8H8O3 Molecular Weight: 152.15IUPAC Name: 2-methoxy-6-methylcyclohexa-2,5-diene-1,4-dioneSMILES: CC1=CC(=O)C=C(C1=O)OCInChIKey: HVGWDVJUMODUIZ-UHFFFAOYSA-NInChI: InChI=1S/C8H8O3/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4H,1-2H3
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2-Methoxycyclohex-2-enoneCas Number: 23740-37-6 Compound CID: 12496237Formula: C7H10O2 Molecular Weight: 126.15IUPAC Name: 2-methoxycyclohex-2-en-1-oneSMILES: COC1=CCCCC1=OInChIKey: KPVZWLCTHWRRNK-UHFFFAOYSA-NInChI: InChI=1S/C7H10O2/c1-9-7-5-3-2-4-6(7)8/h5H,2-4H2,1H3
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2-Iodocyclohex-2-en-1-oneCas Number: 33948-36-6 Compound CID: 11106935Formula: C6H7IO Molecular Weight: 222.02IUPAC Name: 2-iodocyclohex-2-en-1-oneSMILES: C1CC=C(C(=O)C1)IInChIKey: IPFSJCDRYRZTJU-UHFFFAOYSA-NInChI: InChI=1S/C6H7IO/c7-5-3-1-2-4-6(5)8/h3H,1-2,4H2
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(S)-8a-Methyl-3,4,8,8a-tetrahydronaphthalene-1,6(2H,7H)-dioneCas Number: 33878-99-8 Compound CID: 736069Formula: C11H14O2 Molecular Weight: 178.23IUPAC Name: (8aS)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dioneSMILES: CC12CCC(=O)C=C1CCCC2=OInChIKey: DNHDRUMZDHWHKG-NSHDSACASA-NInChI: InChI=1S/C11H14O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h7H,2-6H2,1H3/t11-/m0/s1
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MonascinCas Number: 21516-68-7Formula: C21H26O5 Molecular Weight: 358.43IUPAC Name: (3S,3aR,9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-3,3a,4,8-tetrahydrofuro[3,2-g]isochromene-2,9-dioneSMILES: CCCCCC(=O)C1C2CC3=C(COC(=C3)C=CC)C(=O)C2(OC1=O)CInChIKey: XXKNHBAFFJINCK-RVEJDSBJSA-NInChI: show more Synonyms: Monascoflavin | (3S,3aR,9aR)-3-Hexanoyl-9a-methyl-6-((E)-propenyl)-3a,4,8,9a-tetrahydro-3H-furo[3,2-g]isochromene-2,9...
