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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二岩藻糖基-对-乳-N-六糖CAS号: 64309-01-9 Compound CID : 5219625分子式: C52H88N2O39 分子量: 1365.25IUPAC Name: See moreSMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C)OC4C(C(OC(C4O)OC5C(OC(C(C5OC6C(C(C(C(O6)C)O)O)O)NC(=O)C)OC7C(C(OC(C7O)OC(C(CO)O)C(C(C=O)O)O)CO)O)CO)CO)O)CO)O)O)OInChIKey: BCUMESVDMXHZRL-UHFFFAOYSA-NInChI: See more
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茜素紫CAS号: 2103-64-2分子式: C20H12O7 分子量: 364.3IUPAC Name: 3',4',5',6'-tetrahydroxyspiro[2-benzofuran-3,9'-xanthene]-1-oneSMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)OInChIKey: PHLYOKFVXIVOJC-UHFFFAOYSA-NInChI: 1S/C20H12O7/c21-13-7-5-11-17(15(13)23)26-18-12(6-8-14(22)16(18)24)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,21-24H
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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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柠檬醛二甲缩醛(顺反异构体混合物)CAS号: 7549-37-3分子式: C12H22O2 分子量: 198.31IUPAC Name: (2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-dieneSMILES: CC(=CCCC(=CC(OC)OC)C)CInChIKey: ZSKAJFSSXURRGL-PKNBQFBNSA-NInChI: 1S/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3/b11-9+
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