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Decanoic acid-1-¹³CCAS号: 84600-66-8分子式: CH3(CH2)813CO2H 分子量: 173.26IUPAC Name: (113C)decanoic acidSMILES: CCCCCCCCCC(=O)OInChIKey: GHVNFZFCNZKVNT-DETAZLGJSA-NInChI: 1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/i10+1
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十一烷基α-D-麦芽糖苷CAS号: 168037-13-6 Compound CID : 44462510分子式: C23H44O11 分子量: 496.59IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-undecoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: CCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)OInChI: 1S/C23H44O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21-,22+,23-/m1/s1
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花生四烯酸甲酯CAS号: 2566-89-4分子式: C21H34O2 分子量: 318.49IUPAC Name: methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoateSMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCInChIKey: OFIDNKMQBYGNIW-ZKWNWVNESA-NInChI: 1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
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反式-2,4-癸二烯醛CAS号: 25152-84-5 EC号: 246-668-9分子式: C10H16O 分子量: 152.23IUPAC Name: (2E,4E)-deca-2,4-dienalSMILES: CCCCCC=CC=CC=OInChIKey: JZQKTMZYLHNFPL-BLHCBFLLSA-NInChI: 1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+
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3-氨基-5-(三氟甲基)苯甲酸CAS号: 328-68-7分子式: C8H6F3NO2 分子量: 205.14IUPAC Name: 3-amino-5-(trifluoromethyl)benzoic acidSMILES: C1=C(C=C(C=C1C(F)(F)F)N)C(=O)OInChIKey: WBTHOSZMTIPJLR-UHFFFAOYSA-NInChI: 1S/C8H6F3NO2/c9-8(10,11)5-1-4(7(13)14)2-6(12)3-5/h1-3H,12H2,(H,13,14)
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2,3-双(2,4,5-三甲基-3-噻吩基)马来酰亚胺CAS号: 220191-36-6分子式: C18H19NO2S2 分子量: 345.48IUPAC Name: 3,4-bis(2,4,5-trimethylthiophen-3-yl)pyrrole-2,5-dioneSMILES: CC1=C(SC(=C1C2=C(C(=O)NC2=O)C3=C(SC(=C3C)C)C)C)CInChIKey: OHZCQTZIDIVCPI-UHFFFAOYSA-NInChI: 1S/C18H19NO2S2/c1-7-9(3)22-11(5)13(7)15-16(18(21)19-17(15)20)14-8(2)10(4)23-12(14)6/h1-6H3,(H,19,20,21)
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苄达酸CAS号: 20187-55-7分子式: C16H14N2O3 分子量: 282.3IUPAC Name: 2-(1-benzylindazol-3-yl)oxyacetic acidSMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)OCC(=O)OInChIKey: BYFMCKSPFYVMOU-UHFFFAOYSA-NInChI: 1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)
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顺-5-辛烯-1-醇CAS号: 64275-73-6分子式: C8H16O 分子量: 128.22IUPAC Name: (Z)-oct-5-en-1-olSMILES: CCC=CCCCCOInChIKey: VDHRTASWKDTLER-ARJAWSKDSA-NInChI: 1S/C8H16O/c1-2-3-4-5-6-7-8-9/h3-4,9H,2,5-8H2,1H3/b4-3-
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Nα-(2,4-二硝基苯基)-L-精氨酸分子式: C12H16N6O6 分子量: 340.3IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-(2,4-dinitroanilino)pentanoic acidSMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CCCN=C(N)N)C(=O)OInChIKey: GZJXZYUXRVBOAH-VIFPVBQESA-NInChI: 1S/C12H16N6O6/c13-12(14)15-5-1-2-9(11(19)20)16-8-4-3-7(17(21)22)6-10(8)18(23)24/h3-4,6,9,16H,1-2,5H2,(H,19,20)(H4,13,14,15)/t9-/m0/s1
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4-硝基邻氨基苯甲酸CAS号: 619-17-0分子式: C7H6N2O4 分子量: 182.14IUPAC Name: 2-amino-4-nitrobenzoic acidSMILES: C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)OInChIKey: UEALKTCRMBVTFN-UHFFFAOYSA-NInChI: 1S/C7H6N2O4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,8H2,(H,10,11)
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O-甲基-DCAS号: 39878-65-4分子式: C10H13NO3 分子量: 195.22IUPAC Name: (2R)-2-amino-3-(4-methoxyphenyl)propanoic acidSMILES: COC1=CC=C(C=C1)CC(C(=O)O)NInChIKey: GEYBMYRBIABFTA-SECBINFHSA-NInChI: 1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1
