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尼日利亚菌素钠CAS号 : 28643-80-3 Compound CID : 16760591分子式: C40H67NaO11 分子量: 746.94IUPAC Name: sodium;(2R)-2-[(2R,3S,6R)-6-[[(2S,4R,5R,6R,7R,9R)-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoateSMILES: CC1CCC(OC1C(C)C(=O)[O-])CC2CC(C(C3(O2)C(CC(O3)(C)C4CCC(O4)(C)C5C(CC(O5)C6C(CC(C(O6)(CO)O)C)C)C)C)C)OC.[Na+]InChIKey: MOYOTUKECQMGHE-PDEFJWSRSA-MInChI: InChI=1S/C40H68O11.Na/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34;/h21-35,41,44H,11-20H2,1-10H3,(H,42,43);/q;+1/p-1/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,37-,38-,39-,40+;/m0./s1
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2,3',4,4',5-五氯联苯标准溶液CAS号 : 31508-00-6 Compound CID : 35823分子式: C12H5Cl5 分子量: 326.4IUPAC Name: 1,2,4-trichloro-5-(3,4-dichlorophenyl)benzeneSMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)ClInChIKey: IUTPYMGCWINGEY-UHFFFAOYSA-NInChI: InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H
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2-溴十六烷酸CAS号 : 18263-25-7 Compound CID : 82145分子式: CH3(CH2)13CH(Br)CO2H 分子量: 335.32IUPAC Name: 2-bromohexadecanoic acidSMILES: CCCCCCCCCCCCCCC(C(=O)O)BrInChIKey: DPRAYRYQQAXQPE-UHFFFAOYSA-NInChI: InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
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旋复花内酯CAS号 : 33627-28-0 Compound CID : 14466541分子式: C19H26O7 分子量: 366.41IUPAC Name: [(3aS,5R,5aS,6S,8S,8aS,9S,9aR)-9-acetyloxy-8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetateSMILES: CC1CC2C(C(C3(C1C(CC3O)OC(=O)C)C)OC(=O)C)C(=C)C(=O)O2InChIKey: JXEGMONJOSAULB-IZZBGLMFSA-NInChI: InChI=1S/C19H26O7/c1-8-6-12-15(9(2)18(23)26-12)17(25-11(4)21)19(5)14(22)7-13(16(8)19)24-10(3)20/h8,12-17,22H,2,6-7H2,1,3-5H3/t8-,12+,13+,14+,15-,16-,17+,19-/m1/s1
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2,3',4,4',5-五氯联苯标准溶液CAS号 : 31508-00-6 Compound CID : 35823分子式: C12H5Cl5 分子量: 326.4IUPAC Name: 1,2,4-trichloro-5-(3,4-dichlorophenyl)benzeneSMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)ClInChIKey: IUTPYMGCWINGEY-UHFFFAOYSA-NInChI: InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H
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莫诺苷CAS号 : 25406-64-8 Compound CID : 11228693分子式: C17H26O11 分子量: 406.38IUPAC Name: methyl (1S,3R,4aS,8S,8aS)-3-hydroxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylateSMILES: CC1C2C(CC(O1)O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OCInChIKey: YTZSBJLNMIQROD-SFBCHFHNSA-NInChI: InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9+,10+,11+,12+,13-,14+,16-,17-/m0/s1
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重楼皂苷ⅥCAS号 : 55916-51-3 Compound CID : 71307571分子式: C39H62O13 分子量: 738.9IUPAC Name: (2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triolSMILES: CC1CCC2(C(C3(C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)O)C)OC1InChIKey: WHWWQGPCTUQCMN-QEGKHCRGSA-NInChI: InChI=1S/C39H62O13/c1-18-8-13-38(47-17-18)20(3)39(46)27(52-38)15-25-23-7-6-21-14-22(9-11-36(21,4)24(23)10-12-37(25,39)5)49-35-33(31(44)29(42)26(16-40)50-35)51-34-32(45)30(43)28(41)19(2)48-34/h6,18-20,22-35,40-46H,7-17H2,1-5H3/t18-,19+,20-,22+,23-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34-,35-,36+,37+,38-,39-/m1/s1
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2,3',4,4',5-五氯联苯标准溶液CAS号 : 31508-00-6 Compound CID : 35823分子式: C12H5Cl5 分子量: 326.4IUPAC Name: 1,2,4-trichloro-5-(3,4-dichlorophenyl)benzeneSMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)ClInChIKey: IUTPYMGCWINGEY-UHFFFAOYSA-NInChI: InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H
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Ac-FLTD-CMKCAS号 : 2376255-48-8 Compound CID : 155906572分子式: C26H37ClN4O8 分子量: 569.05IUPAC Name: (3S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-chloro-4-oxopentanoic acidSMILES: CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)CCl)NC(=O)C(CC1=CC=CC=C1)NC(=O)CInChIKey: UCWNTWGHVCSMJP-WPUDHWPRSA-NInChI: InChI=1S/C26H37ClN4O8/c1-14(2)10-19(30-24(37)20(28-16(4)33)11-17-8-6-5-7-9-17)25(38)31-23(15(3)32)26(39)29-18(12-22(35)36)21(34)13-27/h5-9,14-15,18-20,23,32H,10-13H2,1-4H3,(H,28,33)(H,29,39)(H,30,37)(H,31,38)(H,35,36)/t15-,18+,19+,20+,23+/m1/s1
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2-溴十六烷酸CAS号 : 18263-25-7 Compound CID : 82145分子式: CH3(CH2)13CH(Br)CO2H 分子量: 335.32IUPAC Name: 2-bromohexadecanoic acidSMILES: CCCCCCCCCCCCCCC(C(=O)O)BrInChIKey: DPRAYRYQQAXQPE-UHFFFAOYSA-NInChI: InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
