小分子和化合物库
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氯霉素琥珀酸酯CAS号: 3544-94-3分子式: C15H16Cl2N2O8 分子量: 423.2IUPAC Name: 4-[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acidSMILES: C1=CC(=CC=C1C(C(COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]InChIKey: LIRCDOVJWUGTMW-ZWNOBZJWSA-NInChI: 1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)/t10-,13-/m1/s1
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GC376CAS号: 1416992-39-6分子式: C21H30N3NaO8S 分子量: 507.53IUPAC Name: sodium;(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonateSMILES: CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)[O-])NC(=O)OCC2=CC=CC=C2.[Na+]InChIKey: BSPJDKCMFIPBAW-JPBGFCRCSA-MInChI: See more
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腔肠素CAS号: 55779-48-1分子式: C26H21N3O3 分子量: 423.46IUPAC Name: 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-olSMILES: C1=CC=C(C=C1)CC2=NC(=CN3C2=NC(=C3O)CC4=CC=C(C=C4)O)C5=CC=C(C=C5)OInChIKey: LNCOEGVEEQDKGX-UHFFFAOYSA-NInChI: 1S/C26H21N3O3/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17/h1-13,16,30-32H,14-15H2
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β-Caryophyllene-d2CAS号: 2006272-96-2分子式: C15H22D2 分子量: 206.36SMILES: CC1([C@@]2([H])[C@](/C(CC/C=C(CC2)/C)=C([2H])\\[2H])([H])C1)C
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盐酸药根碱CAS号: 960383-96-4 Compound CID : 21115138分子式: C20H21ClNO4+ 分子量: 374.8IUPAC Name: 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol;hydrochlorideSMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC.ClInChIKey: JKMUUZMCSNHBAX-UHFFFAOYSA-OInChI: 1S/C20H19NO4.ClH/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3;/h4-5,8-11H,6-7H2,1-3H3;1H/p+1
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