小分子和化合物库
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丹参素钠CAS号: 67920-52-9 Compound CID : 23711819分子式: C9H9NaO5 分子量: 220.15IUPAC Name: sodium;3-(3,4-dihydroxyphenyl)-2-hydroxypropanoateSMILES: C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O.[Na+]InChIKey: ZMMKVDBZTXUHFO-UHFFFAOYSA-MInChI: 1S/C9H10O5.Na/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14;/h1-3,8,10-12H,4H2,(H,13,14);/q;+1/p-1
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腈菌唑CAS号: 88671-89-0分子式: C15H17ClN4 分子量: 288.78IUPAC Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrileSMILES: CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)ClInChIKey: HZJKXKUJVSEEFU-UHFFFAOYSA-NInChI: 1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3
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槲皮素分子式: C15H10O7 分子量: 302.24IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-oneSMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OInChIKey: REFJWTPEDVJJIY-UHFFFAOYSA-NInChI: 1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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熊果酸分子式: C30H48O3 分子量: 456.70IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acidSMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)OInChIKey: WCGUUGGRBIKTOS-GPOJBZKASA-NInChI: See more
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霜脲氰CAS号: 57966-95-7 EC号: 261-043-0分子式: C7H10N4O3 分子量: 198.18IUPAC Name: (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanideSMILES: CCNC(=O)NC(=O)C(=NOC)C#NInChIKey: XERJKGMBORTKEO-VZUCSPMQSA-NInChI: 1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+
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恶唑酮菌CAS号: 131807-57-3 EC号: 200-835-2分子式: C22H18N2O4 分子量: 374.39IUPAC Name: 3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dioneSMILES: CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4InChIKey: PCCSBWNGDMYFCW-UHFFFAOYSA-NInChI: 1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3
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