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Phenylpropanoids and polyketides
Description:
Organic compounds that are synthesized either from the amino acid phenylalanine (phenylpropanoids) or the decarboxylative condensation of malonyl-CoA (polyketides). Phenylpropanoids are aromatic compounds based on the phenylpropane skeleton. Polyketides usually consist of alternating carbonyl and methylene groups (beta-polyketones), biogenetically derived from repeated condensation of acetyl coenzyme A (via malonyl coenzyme A), and usually the compounds derived from them by further condensations.
Ancestors:
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BENZENE，1，1'-(3-METHYL-1-PROPCas Number: 7614-93-9Formula: C16H16 Molecular Weight: 208.2982SMILES: CC(C=CC1=CC=CC=C1)C2=CC=CC=C2InChIKey: GNQWHYWLSGTMSL-OUKQBFOZSA-NInChI: InChI=1S/C16H16/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-14H,1H3/b13-12+ -
Apigenin 5-O-glucosideCas Number: 28757-27-9 Compound CID: 14730806Formula: C21H20O10 Molecular Weight: 432.38IUPAC Name: 7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneSMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)OInChIKey: ZFPMFULXUJZHFG-QNDFHXLGSA-NInChI: show more
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4-chloro-7-(diethylamino)-2-oxo-2H-chromene-3-carbaldehydeCas Number: 136918-66-6 Compound CID: 2828082Formula: C14H14ClNO3 Molecular Weight: 279.72IUPAC Name: 4-chloro-7-(diethylamino)-2-oxochromene-3-carbaldehydeSMILES: CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C=O)ClInChIKey: CYXXVTLWYIGJJW-UHFFFAOYSA-NInChI: InChI=1S/C14H14ClNO3/c1-3-16(4-2)9-5-6-10-12(7-9)19-14(18)11(8-17)13(10)15/h5-8H,3-4H2,1-2H3
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4-[[4-[(AMinoiMinoMethyl)aMino]benzoyl]oxy]benzeneacetic AcidCas Number: 71079-08-8 Compound CID: 130395Formula: C16H15N3O4 Molecular Weight: 313.31IUPAC Name: 2-[4-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]acetic acidSMILES: C1=CC(=CC=C1CC(=O)O)OC(=O)C2=CC=C(C=C2)N=C(N)NInChIKey: XTKGXPFBKPYFDW-UHFFFAOYSA-NInChI: InChI=1S/C16H15N3O4/c17-16(18)19-12-5-3-11(4-6-12)15(22)23-13-7-1-10(2-8-13)9-14(20)21/h1-8H,9H2,(H,20,21)(H4,17,18,19)
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4，4'-((4-hydroxy-1，3-phenylene)bis(propane-2，2-diyl))diphenolCas Number: 2300-15-4Formula: C24H26O3 Molecular Weight: 362.46SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC(=C(C=C2)O)C(C)(C)C3=CC=C(C=C3)OInChIKey: VPVTXVHUJHGOCM-UHFFFAOYSA-NInChI: InChI=1S/C24H26O3/c1-23(2,16-5-10-19(25)11-6-16)18-9-14-22(27)21(15-18)24(3,4)17-7-12-20(26)13-8-17/h5-15,25-27H,1-4H3
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4H-1-Benzopyran-4-one， 2-(3，4-dihydroxyphenyl)-2，3-dihydro-7，8-dihydroxy-Cas Number: 489-73-6Formula: C15H12O6 Molecular Weight: 288.25SMILES: C1C(OC2=C(C1=O)C=CC(=C2O)O)C3=CC(=C(C=C3)O)OInChIKey: ZPVNWCMRCGXRJD-UHFFFAOYSA-NInChI: InChI=1S/C15H12O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-5,13,16-17,19-20H,6H2
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4H-1-Benzopyran-4-one， 2-(2，6-dimethoxyphenyl)-5，6-dimethoxy-Cas Number: 14813-19-5 Compound CID: 629965IUPAC Name: 2-(2,6-dimethoxyphenyl)-5,6-dimethoxychromen-4-oneSMILES: COC1=C(C(=CC=C1)OC)C2=CC(=O)C3=C(O2)C=CC(=C3OC)OCInChIKey: PBQMALAAFQMDSP-UHFFFAOYSA-NInChI: InChI=1S/C19H18O6/c1-21-12-6-5-7-13(22-2)18(12)16-10-11(20)17-14(25-16)8-9-15(23-3)19(17)24-4/h5-10H,1-4H3
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5-Acetoxy-7-hydroxyflavoneCas Number: 132351-58-7 Compound CID: 15731440IUPAC Name: (7-hydroxy-4-oxo-2-phenylchromen-5-yl) acetateSMILES: CC(=O)OC1=CC(=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3)OInChIKey: ZCEVJMPLRAGWNX-UHFFFAOYSA-NInChI: InChI=1S/C17H12O5/c1-10(18)21-15-7-12(19)8-16-17(15)13(20)9-14(22-16)11-5-3-2-4-6-11/h2-9,19H,1H3
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4'-Demethyl-3，9-dihydroeucominCas Number: 107585-77-3 Compound CID: 9971218IUPAC Name: 5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-oneSMILES: C1C(C(=O)C2=C(C=C(C=C2O1)O)O)CC3=CC=C(C=C3)OInChIKey: FIASLUPJXGTCKM-UHFFFAOYSA-NInChI: InChI=1S/C16H14O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-4,6-7,10,17-19H,5,8H2
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3'，4'，7-TrimethoxyquercetinCas Number: 6068-80-0 Compound CID: 5748558IUPAC Name: 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-7-methoxychromen-4-oneSMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O)OCInChIKey: OEEUHNAUMMATJT-UHFFFAOYSA-NInChI: InChI=1S/C18H16O7/c1-22-10-7-11(19)15-14(8-10)25-18(17(21)16(15)20)9-4-5-12(23-2)13(6-9)24-3/h4-8,19,21H,1-3H3
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2，4，6-Trimethylphenyl 2，4，6-trimethyl benzoateCas Number: 1504-38-7Formula: C19H22O2 Molecular Weight: 282.37678SMILES: CC1=CC(=C(C(=C1)C)C(=O)OC2=C(C=C(C=C2C)C)C)CInChIKey: FAWKUOSTOPFSTA-UHFFFAOYSA-NInChI: InChI=1S/C19H22O2/c1-11-7-13(3)17(14(4)8-11)19(20)21-18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3
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3'，4'，5，7-TETRAMETHOXYFLAVONECas Number: 855-97-0 Compound CID: 631170Formula: C19H18O6 Molecular Weight: 342.35IUPAC Name: 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-oneSMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC)OCInChIKey: CLXVBVLQKLQNRQ-UHFFFAOYSA-NInChI: InChI=1S/C19H18O6/c1-21-12-8-17(24-4)19-13(20)10-15(25-18(19)9-12)11-5-6-14(22-2)16(7-11)23-3/h5-10H,1-4H3
