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小分子和化合物库
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1,7-二苯基-4-庚烯-3-oneCAS号: 79559-59-4分子式: C19H20O 分子量: 264.36IUPAC Name: (E)-1,7-diphenylhept-4-en-3-oneSMILES: C1=CC=C(C=C1)CCC=CC(=O)CCC2=CC=CC=C2InChIKey: UDNMYDZHPMNIEQ-RIYZIHGNSA-NInChI: 1S/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,8-12,14H,7,13,15-16H2/b14-8+
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1-(3-乙基-2,4-二羟基-6-甲氧基苯基)-1-丁酮CAS号: 159686-24-5分子式: C13H18O4 分子量: 238.28IUPAC Name: 1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-oneSMILES: CCCC(=O)C1=C(C=C(C(=C1O)CC)O)OCInChIKey: GRQAKVFPDMDUIF-UHFFFAOYSA-NInChI: 1S/C13H18O4/c1-4-6-9(14)12-11(17-3)7-10(15)8(5-2)13(12)16/h7,15-16H,4-6H2,1-3H3
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2,4-二氯酯酸甲酯CAS号: 398118-62-2分子式: C18H16Cl2O8 分子量: 431.22IUPAC Name: methyl 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoateSMILES: CC1=C(C(=C(C(=C1Cl)OC2=C(C=C(C=C2OC)O)C(=O)OC)C(=O)OC)O)ClInChIKey: UWTOESDPWKUNBD-UHFFFAOYSA-NInChI: 1S/C18H16Cl2O8/c1-7-12(19)14(22)11(18(24)27-4)16(13(7)20)28-15-9(17(23)26-3)5-8(21)6-10(15)25-2/h5-6,21-22H,1-4H3
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2-(2-乙酰基-3-羟基-5-甲氧基苯基)乙酸CAS号: 19054-28-5分子式: C11H12O5 分子量: 224.21IUPAC Name: 2-(2-acetyl-3-hydroxy-5-methoxyphenyl)acetic acidSMILES: CC(=O)C1=C(C=C(C=C1O)OC)CC(=O)OInChIKey: UYUOIPIOTPMHKV-UHFFFAOYSA-NInChI: 1S/C11H12O5/c1-6(12)11-7(4-10(14)15)3-8(16-2)5-9(11)13/h3,5,13H,4H2,1-2H3,(H,14,15)
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2H-1-苯并吡喃-2-酮, 3,8-三羟基CAS号: 147942-92-5分子量: 194.14SMILES: O=C(OC1=C2C=CC=C1O)C(O)=C2OInChIKey: OJIYXYUCRVFSRV-UHFFFAOYSA-NInChI: 1S/C9H6O5/c10-5-3-1-2-4-6(11)7(12)9(13)14-8(4)5/h1-3,10-12H
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3-(1,1-二甲基烯丙基)-8-羟基-7-甲氧基香豆素CAS号: 61899-42-1分子式: C15H16O4 分子量: 260.29IUPAC Name: 8-hydroxy-7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-oneSMILES: CC(C)(C=C)C1=CC2=C(C(=C(C=C2)OC)O)OC1=OInChIKey: KNZZAAGBIUZSNV-UHFFFAOYSA-NInChI: 1S/C15H16O4/c1-5-15(2,3)10-8-9-6-7-11(18-4)12(16)13(9)19-14(10)17/h5-8,16H,1H2,2-4H3
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4-苯基-3-(苯基甲基)-2(5H)-呋喃酮CAS号: 146140-28-5分子量: 250.29SMILES: O=C1OCC(C2=CC=CC=C2)=C1CC3=CC=CC=C3InChIKey: KJGOARVXLMFYCA-UHFFFAOYSA-NInChI: 1S/C17H14O2/c18-17-15(11-13-7-3-1-4-8-13)16(12-19-17)14-9-5-2-6-10-14/h1-10H,11-12H2
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6'',6''-二甲基吡喃[2'',3'':7,8]黄酮CAS号: 64125-32-2分子式: C20H16O3 分子量: 304.34IUPAC Name: 8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-oneSMILES: CC1(C=CC2=C(O1)C=CC3=C2OC(=CC3=O)C4=CC=CC=C4)CInChIKey: RBKWJAHRWPDNPM-UHFFFAOYSA-NInChI: 1S/C20H16O3/c1-20(2)11-10-15-17(23-20)9-8-14-16(21)12-18(22-19(14)15)13-6-4-3-5-7-13/h3-12H,1-2H3
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6,8-二羟基-3-甲基异香豆素CAS号: 1204-37-1分子式: C10H8O4 分子量: 192.17IUPAC Name: 6,8-dihydroxy-3-methylisochromen-1-oneSMILES: CC1=CC2=CC(=CC(=C2C(=O)O1)O)OInChIKey: OHHKDUWFPNAEHQ-UHFFFAOYSA-NInChI: 1S/C10H8O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h2-4,11-12H,1H3
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7,9-二甲氧基-6-(4-甲氧基苯基)-8H-[1,3]二氧基lo[4,5-g]chromen-8-oneCAS号: 70610-26-3分子量: 356.33SMILES: O=C1C2=C(C=C(OCO3)C3=C2OC)OC(C4=CC=C(OC)C=C4)=C1OCInChIKey: LWUQVHKGVXRUPD-UHFFFAOYSA-NInChI: 1S/C19H16O7/c1-21-11-6-4-10(5-7-11)16-19(23-3)15(20)14-12(26-16)8-13-17(18(14)22-2)25-9-24-13/h4-8H,9H2,1-3H3
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L-α-磷脂酰胆碱分子式: C42H80NO8P 分子量: 758.06IUPAC Name: [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphateSMILES: [P](=O)([O-])(OC[C@H](OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCCCCCC)OCC[N+](C)(C)CInChIKey: JLPULHDHAOZNQI-ZTIMHPMXSA-NInChI: See more
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伊利西林CCAS号: 22562-67-0分子式: C23H31ClO4 分子量: 406.94IUPAC Name: 5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehydeSMILES: CC1CCC(=O)C(C1(C)CCC(=CCC2=C(C(=C(C(=C2O)Cl)C)C=O)O)C)CInChIKey: IJEHYEVNWOYGMS-WGUBEYSISA-NInChI: 1S/C23H31ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,12,14,16,27-28H,7-11H2,1-5H3/b13-6+/t14-,16+,23+/m1/s1
![6'',6''-二甲基吡喃[2'',3'':7,8]黄酮](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/D/4/D463960_1.png)
![7,9-二甲氧基-6-(4-甲氧基苯基)-8H-[1,3]二氧基lo[4,5-g]chromen-8-one](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/D/4/D463961_1.png)
