小分子和化合物库
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海柯皂苷元分子式: C27H42O4 分子量: 430.63IUPAC Name: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-oneSMILES: CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)O)C)C)C)OC1InChIKey: QOLRLLFJMZLYQJ-LOBDNJQFSA-NInChI: 1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1
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植酸 二钾盐CAS号: 129832-03-7 Compound CID : 22838972分子式: C6H16O24P6K2 分子量: 736.22IUPAC Name: dipotassium;[(2R,3S,5R,6R)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphateSMILES: C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)([O-])[O-])OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O.[K+].[K+]InChIKey: LFTTXUFEVNNTHA-OKBOCSEJSA-LInChI: See more
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盐酸头孢甲肟CAS号: 75738-58-8 Compound CID : 11954009分子式: C32H34N18O10S6·HCl 分子量: 1059.58IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochlorideSMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O.CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O.ClInChIKey: MPTNDTIREFCQLK-UNVJPQNDSA-NInChI: See more
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阻燃剂FRC-2CAS号: 20120-33-6分子式: C6H14NO5P 分子量: 211.16IUPAC Name: 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamideSMILES: COP(=O)(CCC(=O)NCO)OCInChIKey: MCONGYNHPPCHSD-UHFFFAOYSA-NInChI: 1S/C6H14NO5P/c1-11-13(10,12-2)4-3-6(9)7-5-8/h8H,3-5H2,1-2H3,(H,7,9)
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71 22-二氟-2-(4-甲基吡啶-2-基)乙酸CAS号: 1781036-04-1分子式: C8H7F2NO2 分子量: 187.15IUPAC Name: 2,2-difluoro-2-(4-methylpyridin-2-yl)acetic acidSMILES: CC1=CC(=NC=C1)C(C(=O)O)(F)FInChIKey: LCGRGGRRGPLBPI-UHFFFAOYSA-NInChI: 1S/C8H7F2NO2/c1-5-2-3-11-6(4-5)8(9,10)7(12)13/h2-4H,1H3,(H,12,13)
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01 反式-2-(24-二甲基苯基)环丙烷-1-羧酸CAS号: 2227783-40-4 Compound CID : 93299337分子式: C12H14O2 分子量: 190.24IUPAC Name: (1R,2R)-2-(2,4-dimethylphenyl)cyclopropane-1-carboxylic acidSMILES: CC1=CC(=C(C=C1)C2CC2C(=O)O)CInChIKey: BDCAWIWSTIEPCK-WDEREUQCSA-NInChI: 1S/C12H14O2/c1-7-3-4-9(8(2)5-7)10-6-11(10)12(13)14/h3-5,10-11H,6H2,1-2H3,(H,13,14)/t10-,11+/m0/s1
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Bisindolylmaleimide VIII acetateCAS号: 138516-31-1分子式: C24H22N4O2.CH3CO2H 分子量: 458.51IUPAC Name: acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dioneSMILES: CC(=O)O.CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCNInChIKey: VEOXVBTXROWDAH-UHFFFAOYSA-NInChI: 1S/C24H22N4O2.C2H4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20;1-2(3)4/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30);1H3,(H,3,4)
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红海海绵素A(LAT-A)CAS号: 76343-93-6分子式: C22H31NO5S 分子量: 421.55IUPAC Name: (4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-oneSMILES: CC1CCC2CC(CC(O2)(C3CSC(=O)N3)O)OC(=O)C=C(CCC=CC=C1)CInChIKey: DDVBPZROPPMBLW-IZGXTMSKSA-NInChI: 1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)/b4-3+,7-5-,16-11-/t15-,17-,18-,19+,22-/m1/s1
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