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花生四烯酸(AA)分子式: C20H32O2 分子量: 304.47IUPAC Name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acidSMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OInChIKey: YZXBAPSDXZZRGB-DOFZRALJSA-NInChI: 1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
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花生四烯酸(AA)分子式: C20H32O2 分子量: 304.47IUPAC Name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acidSMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OInChIKey: YZXBAPSDXZZRGB-DOFZRALJSA-NInChI: 1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
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奥美沙坦酯CAS号: 144689-63-4分子式: C29H30N6O6 分子量: 558.59IUPAC Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylateSMILES: CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)OInChIKey: UQGKUQLKSCSZGY-UHFFFAOYSA-NInChI: 1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)
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紫杉醇CAS号: 33069-62-4分子式: C47H51NO14 分子量: 853.91IUPAC Name: See moreSMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)CInChIKey: RCINICONZNJXQF-MZXODVADSA-NInChI: See more
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紫杉醇CAS号: 33069-62-4分子式: C47H51NO14 分子量: 853.91IUPAC Name: See moreSMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)CInChIKey: RCINICONZNJXQF-MZXODVADSA-NInChI: See more
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替洛利生CAS号: 362665-56-3分子式: C17H26ClNO 分子量: 295.85IUPAC Name: 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidineSMILES: C1CCN(CC1)CCCOCCCC2=CC=C(C=C2)ClInChIKey: NNACHAUCXXVJSP-UHFFFAOYSA-NInChI: 1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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利托那韦CAS号: 155213-67-5 Compound CID : 392622分子式: C37H48N6O5S2 分子量: 720.94IUPAC Name: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamateSMILES: CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)OInChIKey: NCDNCNXCDXHOMX-XGKFQTDJSA-NInChI: See more
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菝葜皂苷元分子式: C27H44O3 分子量: 416.64IUPAC Name: (1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-olSMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1InChIKey: GMBQZIIUCVWOCD-WWASVFFGSA-NInChI: 1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
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环胞霉素ACAS号: 59865-13-3 Compound CID : 5284373分子式: C62H111N11O12 分子量: 1202.61IUPAC Name: See moreSMILES: CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)CInChIKey: PMATZTZNYRCHOR-CGLBZJNRSA-NInChI: See more
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β-胡萝卜素分子式: C40H56 分子量: 536.87IUPAC Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexeneSMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)CInChIKey: OENHQHLEOONYIE-JLTXGRSLSA-NInChI: See more
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