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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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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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反-2-十二碳烯醇CAS号: 69064-37-5分子式: C12H24O 分子量: 184.32IUPAC Name: (E)-dodec-2-en-1-olSMILES: CCCCCCCCCC=CCOInChIKey: MLRYPOCSLBIUHY-ZHACJKMWSA-NInChI: 1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-11,13H,2-9,12H2,1H3/b11-10+
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亚磷酸三(2-乙基己基)酯分子式: C24H51O3P 分子量: 418.64IUPAC Name: tris(2-ethylhexyl) phosphiteSMILES: CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCCInChIKey: ILLOBGFGKYTZRO-UHFFFAOYSA-NInChI: 1S/C24H51O3P/c1-7-13-16-22(10-4)19-25-28(26-20-23(11-5)17-14-8-2)27-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
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异戊酸反-2-己烯基酯CAS号: 68698-59-9 Compound CID : 5352460分子式: C11H20O2 分子量: 184.28IUPAC Name: [(E)-hex-2-enyl] 3-methylbutanoateSMILES: CCCC=CCOC(=O)CC(C)CInChIKey: SAVRWHQEMHIAEB-VOTSOKGWSA-NInChI: 1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
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3-庚烯酸CAS号: 29901-85-7分子式: C7H12O2 分子量: 128.17IUPAC Name: (E)-hept-3-enoic acidSMILES: CCCC=CCC(=O)OInChIKey: BCYXFRMDZWKZSF-SNAWJCMRSA-NInChI: 1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h4-5H,2-3,6H2,1H3,(H,8,9)/b5-4+
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左氧氟沙星-d8CAS号: 1217716-71-6分子式: C18H12D8FN3O4 分子量: 369.42IUPAC Name: (2S)-7-fluoro-2-methyl-6-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acidSMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)OInChIKey: GSDSWSVVBLHKDQ-FMBBTWBHSA-NInChI: 1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1/i3D2,4D2,5D2,6D2
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青霉素V-d5CAS号: 1356837-87-0 Compound CID : 45040190分子式: C16H13D5N2O5S 分子量: 355.42IUPAC Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-(2,3,4,5,6-pentadeuteriophenoxy)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidSMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)CInChIKey: BPLBGHOLXOTWMN-DHJOJNDJSA-NInChI: 1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1/i3D,4D,5D,6D,7D
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rac-顺-莫西沙星-d4盐酸盐CAS号: 1217802-65-7分子式: C21H21D4ClFN3O4 分子量: 441.92IUPAC Name: 7-[(4aS,7aS)-5,5,7,7-tetradeuterio-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochlorideSMILES: COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.ClInChIKey: IDIIJJHBXUESQI-RPKOYQESSA-NInChI: 1S/C21H24FN3O4.ClH/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H/t11-,16+;/m0./s1/i8D2,10D2;
