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菜油甾醇分子式: C28H48O 分子量: 400.68IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)CInChIKey: SGNBVLSWZMBQTH-PODYLUTMSA-NInChI: InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
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姜黄素分子式: C21H20O6 分子量: 368.38IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dioneSMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)OInChIKey: VFLDPWHFBUODDF-FCXRPNKRSA-NInChI: InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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亚油酸乙酯分子式: C20H36O2 分子量: 308.51IUPAC Name: ethyl (9Z,12Z)-octadeca-9,12-dienoateSMILES: CCCCCC=CCC=CCCCCCCCC(=O)OCCInChIKey: FMMOOAYVCKXGMF-MURFETPASA-NInChI: InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-
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α-对甲苯磺酰基苄基异腈CAS号 : 36635-66-2 Compound CID : 10967613分子式: C15H13NO2S 分子量: 271.33IUPAC Name: 1-[isocyano(phenyl)methyl]sulfonyl-4-methylbenzeneSMILES: CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)[N+]#[C-]InChIKey: KIJCBVOPJSHLBI-UHFFFAOYSA-NInChI: InChI=1S/C15H13NO2S/c1-12-8-10-14(11-9-12)19(17,18)15(16-2)13-6-4-3-5-7-13/h3-11,15H,1H3
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2-氨基-3-甲酰色酮CAS号 : 61424-76-8 Compound CID : 735928分子式: C10H7NO3 分子量: 189.17IUPAC Name: 2-amino-4-oxochromene-3-carbaldehydeSMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)N)C=OInChIKey: TVGIYZVZBKAJRR-UHFFFAOYSA-NInChI: InChI=1S/C10H7NO3/c11-10-7(5-12)9(13)6-3-1-2-4-8(6)14-10/h1-5H,11H2
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6-乙酰基-2H-1,4-苯并恶嗪-3(4H)-酮CAS号 : 26518-71-8 Compound CID : 3641956分子式: C10H9NO3 分子量: 191.19IUPAC Name: 6-acetyl-4H-1,4-benzoxazin-3-oneSMILES: CC(=O)C1=CC2=C(C=C1)OCC(=O)N2InChIKey: BKJFWHFUERNXLJ-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO3/c1-6(12)7-2-3-9-8(4-7)11-10(13)5-14-9/h2-4H,5H2,1H3,(H,11,13)
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2-苯氨基-9,9-二甲基芴CAS号 : 355832-04-1 Compound CID : 18730177分子式: C21H19N 分子量: 285.39IUPAC Name: 9,9-dimethyl-N-phenylfluoren-2-amineSMILES: CC1(C2=CC=CC=C2C3=C1C=C(C=C3)NC4=CC=CC=C4)CInChIKey: RFTRFDMRINNTSI-UHFFFAOYSA-NInChI: InChI=1S/C21H19N/c1-21(2)19-11-7-6-10-17(19)18-13-12-16(14-20(18)21)22-15-8-4-3-5-9-15/h3-14,22H,1-2H3
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1-(4-溴苯基)哌嗪盐酸盐CAS号 : 68104-62-1 Compound CID : 14422838分子式: C10H13BrN2·HCl 分子量: 277.59IUPAC Name: 1-(4-bromophenyl)piperazine;hydrochlorideSMILES: C1CN(CCN1)C2=CC=C(C=C2)Br.ClInChIKey: YDVSFRZKQMQPJD-UHFFFAOYSA-NInChI: InChI=1S/C10H13BrN2.ClH/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
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3,9'-联咔唑CAS号 : 18628-07-4 Compound CID : 13236022分子式: C24H16N2 分子量: 332.41IUPAC Name: 3-carbazol-9-yl-9H-carbazoleSMILES: C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)N4C5=CC=CC=C5C6=CC=CC=C64InChIKey: FHJJVSJWFYYPAC-UHFFFAOYSA-NInChI: InChI=1S/C24H16N2/c1-4-10-21-17(7-1)20-15-16(13-14-22(20)25-21)26-23-11-5-2-8-18(23)19-9-3-6-12-24(19)26/h1-15,25H
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1-苄基-3-苯基硫脲分子式: C14H14N2S 分子量: 242.34IUPAC Name: 1-benzyl-3-phenylthioureaSMILES: C1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2InChIKey: NXCBDDGSOXJEFZ-UHFFFAOYSA-NInChI: InChI=1S/C14H14N2S/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16,17)
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4,5-双(2-氰乙基硫代)-1,2-二硫醇-2-酮CAS号 : 158871-28-4 Compound CID : 4260353分子式: C9H8N2OS4 分子量: 288.42IUPAC Name: 3-[[5-(2-cyanoethylsulfanyl)-2-oxo-1,3-dithiol-4-yl]sulfanyl]propanenitrileSMILES: C(CSC1=C(SC(=O)S1)SCCC#N)C#NInChIKey: SIYHFUIJFJOCQE-UHFFFAOYSA-NInChI: InChI=1S/C9H8N2OS4/c10-3-1-5-13-7-8(14-6-2-4-11)16-9(12)15-7/h1-2,5-6H2
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4-(4-溴苯基)-2,6-二苯基嘧啶CAS号 : 58536-46-2 Compound CID : 1714899分子式: C22H15BrN2 分子量: 387.28IUPAC Name: 4-(4-bromophenyl)-2,6-diphenylpyrimidineSMILES: C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)BrInChIKey: GHDBFGUOBVYEOV-UHFFFAOYSA-NInChI: InChI=1S/C22H15BrN2/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)24-22(25-21)18-9-5-2-6-10-18/h1-15H
