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油酰单乙醇胺分子式: C20H39NO2 分子量: 325.529IUPAC Name: (Z)-N-(2-hydroxyethyl)octadec-9-enamideSMILES: CCCCCCCCC=CCCCCCCCC(=O)NCCOInChIKey: BOWVQLFMWHZBEF-KTKRTIGZSA-NInChI: InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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橙皮油素分子式: C19H22O3 分子量: 298.38IUPAC Name: 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-oneSMILES: CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)CInChIKey: RSDDHGSKLOSQFK-RVDMUPIBSA-NInChI: InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
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4-羟基-1H-吲哚-3-甲醛CAS号 : 81779-27-3 Compound CID : 9815282分子式: C9H7NO2 分子量: 161.2IUPAC Name: 4-hydroxy-1H-indole-3-carbaldehydeSMILES: C1=CC2=C(C(=C1)O)C(=CN2)C=OInChIKey: QLBZIZLLMNWTHG-UHFFFAOYSA-NInChI: InChI=1S/C9H7NO2/c11-5-6-4-10-7-2-1-3-8(12)9(6)7/h1-5,10,12H
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依格列宗CAS号 : 213411-83-7 Compound CID : 9825701分子式: C24H20N2O4S2 分子量: 464.56IUPAC Name: 5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dioneSMILES: CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=C4C=CSC4=C(C=C3)CC5C(=O)NC(=O)S5InChIKey: HAAXAFNSRADSMK-UHFFFAOYSA-NInChI: InChI=1S/C24H20N2O4S2/c1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20/h2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28)
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CUDACAS号 : 479413-68-8 Compound CID : 22978774分子式: C19H36N2O3 分子量: 340.50IUPAC Name: 12-(cyclohexylcarbamoylamino)dodecanoic acidSMILES: C1CCC(CC1)NC(=O)NCCCCCCCCCCCC(=O)OInChIKey: HPTJABJPZMULFH-UHFFFAOYSA-NInChI: InChI=1S/C19H36N2O3/c22-18(23)15-11-6-4-2-1-3-5-7-12-16-20-19(24)21-17-13-9-8-10-14-17/h17H,1-16H2,(H,22,23)(H2,20,21,24)
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双酚A(3-氯-2-羟丙基)(2,3-二羟丙基)醚CAS号 : 227947-06-0 Compound CID : 4166922分子式: C21H27ClO5 分子量: 394.89IUPAC Name: 3-[4-[2-[4-(3-chloro-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diolSMILES: CC(C)(C1=CC=C(C=C1)OCC(CO)O)C2=CC=C(C=C2)OCC(CCl)OInChIKey: HDTYUHNZRYZEEB-UHFFFAOYSA-NInChI: InChI=1S/C21H27ClO5/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,23-25H,11-14H2,1-2H3
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(±)4-HDoHECAS号 : 90906-40-4分子式: C22H32O3 分子量: 344.5IUPAC Name: 4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acidSMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C/C(O)CCC(=O)OInChIKey: IFRKCNPQVIJFAQ-UHFFFAOYSA-NInChI: InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,15-18,21,23H,2,5,8,11,14,19-20H2,1H3,(H,24,25)
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绞股蓝皂甙XLIXCAS号 : 94987-08-3 Compound CID : 16007240分子式: C52H86O21 分子量: 1047.23IUPAC Name: (3S,5S,8R,9S,10S,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-3-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehydeSMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C(CCC6(C5(CCC4C3(C)C)C)C)C(CCC=C(C)C)(COC7C(C(C(C(O7)CO)O)O)O)O)C=O)O)OC8C(C(C(CO8)O)O)O)O)O)OInChIKey: AFEVCSJFNQWWDF-AZFNEDKCSA-NInChI: InChI=1S/C52H86O21/c1-24(2)9-8-15-52(65,23-68-45-40(63)38(61)36(59)30(19-53)70-45)27-12-16-49(6)26(27)10-11-32-50(49,7)17-13-31-48(4,5)33(14-18-51(31,32)22-54)71-47-43(73-46-41(64)37(60)34(57)25(3)69-46)42(29(56)21-67-47)72-44-39(62)35(58)28(55)20-66-44/h9,22,25-47,53,55-65H,8,10-21,23H2,1-7H3/t25-,26+,27-,28+,29-,30+,31-,32-,33-,34-,35-,36+,37+,38-,39+,40+,41+,42-,43+,44-,45+,46-,47-,49+,50+,51+,52+/m0/s1
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13-OxoODECAS号 : 54739-30-9分子式: C18H30O3 分子量: 294.43IUPAC Name: (9Z,11E)-13-oxooctadeca-9,11-dienoic acidSMILES: CCCCCC(=O)C=CC=CCCCCCCCC(=O)OInChIKey: JHXAZBBVQSRKJR-BSZOFBHHSA-NInChI: InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+
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花生四烯酰乙醇胺CAS号 : 94421-68-8分子式: C22H37NO2 分子量: 347.543IUPAC Name: (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamideSMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCOInChIKey: LGEQQWMQCRIYKG-DOFZRALJSA-NInChI: InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-