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Coumarins and derivatives
Description:
Polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
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2′-(4-Methylumbelliferyl)-α-D-N-acetylneuraminic acid sodium salt hydrateCas Number: 76204-02-9 Compound CID: 23683295Formula: C21H24NNaO11 · xH2O Molecular Weight: 489.41IUPAC Name: sodium;(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-methyl-2-oxochromen-7-yl)oxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylateSMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)O)C(=O)[O-].[Na+]InChIKey: NNNXBDLJYKMDAI-BUIQBYSTSA-MInChI: show more -
methyl (7-hydroxy-2-oxo-2H-chromen-4-yl)acetateCas Number: 15991-13-6 Compound CID: 5395514Formula: C12H10O5 Molecular Weight: 234.2IUPAC Name: methyl 2-(7-hydroxy-2-oxochromen-4-yl)acetateSMILES: COC(=O)CC1=CC(=O)OC2=C1C=CC(=C2)OInChIKey: YRNMDWOVAZLMDY-UHFFFAOYSA-NInChI: InChI=1S/C12H10O5/c1-16-11(14)4-7-5-12(15)17-10-6-8(13)2-3-9(7)10/h2-3,5-6,13H,4H2,1H3
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MarminCas Number: 14957-38-1 Compound CID: 6450230IUPAC Name: 7-[(E,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]chromen-2-oneSMILES: CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC(C(C)(C)O)OInChIKey: QYYKWTUUCOTGNS-JIIJFUIFSA-NInChI: InChI=1S/C19H24O5/c1-13(4-8-17(20)19(2,3)22)10-11-23-15-7-5-14-6-9-18(21)24-16(14)12-15/h5-7,9-10,12,17,20,22H,4,8,11H2,1-3H3/b13-10+/t17-/m1/s1
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FraxidinCas Number: 525-21-3 Compound CID: 3083616Formula: C11H10O5 Molecular Weight: 222.19IUPAC Name: 8-hydroxy-6,7-dimethoxychromen-2-oneSMILES: COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)OCInChIKey: QNFBKOHHLAWWTC-UHFFFAOYSA-NInChI: InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3
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8-Amino-7-hydroxy-4-methyl-2H-chromen-2-oneCas Number: 24618-19-7 Compound CID: 5310473Formula: C10H9NO3 Molecular Weight: 191.186IUPAC Name: 8-amino-7-hydroxy-4-methylchromen-2-oneSMILES: CC1=CC(=O)OC2=C1C=CC(=C2N)OInChIKey: OBCTUTOUGBMEOK-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO3/c1-5-4-8(13)14-10-6(5)2-3-7(12)9(10)11/h2-4,12H,11H2,1H3
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8-HydroxybergaptenCas Number: 1603-47-0 Compound CID: 3083726Formula: C12H8O5 Molecular Weight: 232.19IUPAC Name: 9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-oneSMILES: COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OInChIKey: MVJHUMZXIJPVHV-UHFFFAOYSA-NInChI: InChI=1S/C12H8O5/c1-15-10-6-2-3-8(13)17-12(6)9(14)11-7(10)4-5-16-11/h2-5,14H,1H3
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5，7，8-TrimethoxycoumarinCas Number: 60796-65-8 Compound CID: 6482974IUPAC Name: 5,7,8-trimethoxychromen-2-oneSMILES: COC1=CC(=C(C2=C1C=CC(=O)O2)OC)OCInChIKey: MSFXSDYNQKVMTJ-UHFFFAOYSA-NInChI: InChI=1S/C12H12O5/c1-14-8-6-9(15-2)12(16-3)11-7(8)4-5-10(13)17-11/h4-6H,1-3H3
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5 7-DIHYDROXY-4-PROPYLCOUMARIN 98Cas Number: 66346-59-6 Compound CID: 5391260Formula: C12H12O4 Molecular Weight: 220.23IUPAC Name: 5,7-dihydroxy-4-propylchromen-2-oneSMILES: CCCC1=CC(=O)OC2=CC(=CC(=C12)O)OInChIKey: HDPADVKOPBBPJW-UHFFFAOYSA-NInChI: InChI=1S/C12H12O4/c1-2-3-7-4-11(15)16-10-6-8(13)5-9(14)12(7)10/h4-6,13-14H,2-3H2,1H3
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4-Ethyl-5-hydroxy-7-methyl-2H-chromen-2-oneCas Number: 62036-49-1 Compound CID: 5308898Formula: C12H12O3 Molecular Weight: 204.23IUPAC Name: 4-ethyl-5-hydroxy-7-methylchromen-2-oneSMILES: CCC1=CC(=O)OC2=CC(=CC(=C12)O)CInChIKey: BGKWMMAJZNSSGJ-UHFFFAOYSA-NInChI: InChI=1S/C12H12O3/c1-3-8-6-11(14)15-10-5-7(2)4-9(13)12(8)10/h4-6,13H,3H2,1-2H3
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4-Ethyl-7-hydroxy-2H-chromen-2-oneCas Number: 64231-10-3 Compound CID: 5395891Formula: C11H10O3 Molecular Weight: 190.2IUPAC Name: 4-ethyl-7-hydroxychromen-2-oneSMILES: CCC1=CC(=O)OC2=C1C=CC(=C2)OInChIKey: UNRDBISCGQHNDA-UHFFFAOYSA-NInChI: InChI=1S/C11H10O3/c1-2-7-5-11(13)14-10-6-8(12)3-4-9(7)10/h3-6,12H,2H2,1H3
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3-Benzyl-7-hydroxy-4-methyl-2H-chromen-2-oneCas Number: 86-44-2 Compound CID: 5338538Formula: C17H14O3 Molecular Weight: 266.3IUPAC Name: 3-benzyl-7-hydroxy-4-methylchromen-2-oneSMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC3=CC=CC=C3InChIKey: IDFOCEQDKOOOER-UHFFFAOYSA-NInChI: InChI=1S/C17H14O3/c1-11-14-8-7-13(18)10-16(14)20-17(19)15(11)9-12-5-3-2-4-6-12/h2-8,10,18H,9H2,1H3
