小分子和化合物库
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植醇分子式: C20H40O 分子量: 296.54IUPAC Name: (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-olSMILES: CC(C)CCCC(C)CCCC(C)CCCC(=CCO)CInChIKey: BOTWFXYSPFMFNR-PYDDKJGSSA-NInChI: 1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/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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(R,R)-(-)-2,3-丁二醇CAS号: 24347-58-8分子式: C4H10O2 分子量: 90.12IUPAC Name: (2R,3R)-butane-2,3-diolSMILES: CC(C(C)O)OInChIKey: OWBTYPJTUOEWEK-QWWZWVQMSA-NInChI: 1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
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4-甲氧基肉桂酸-2-乙基己酯CAS号: 5466-77-3分子式: C18H26O3 分子量: 290.4IUPAC Name: 2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoateSMILES: CCCCC(CC)COC(=O)C=CC1=CC=C(C=C1)OCInChIKey: YBGZDTIWKVFICR-JLHYYAGUSA-NInChI: 1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+
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二十碳五烯酸乙酯CAS号: 86227-47-6分子式: C22H34O2 分子量: 330.51IUPAC Name: ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoateSMILES: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCCInChIKey: SSQPWTVBQMWLSZ-AAQCHOMXSA-NInChI: 1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-
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3-蒈烯CAS号: 13466-78-9分子式: C10H16 分子量: 136.24IUPAC Name: 3,7,7-trimethylbicyclo[4.1.0]hept-3-eneSMILES: CC1=CCC2C(C1)C2(C)CInChIKey: BQOFWKZOCNGFEC-UHFFFAOYSA-NInChI: 1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
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