小分子和化合物库
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N-琥珀酰亚胺基4-(对-马来酰亚胺基苯基)丁酸酯CAS号: 79886-55-8分子式: C18H16N2O6 分子量: 356.33IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanoateSMILES: C1CC(=O)N(C1=O)OC(=O)CCCC2=CC=C(C=C2)N3C(=O)C=CC3=OInChIKey: PMJWDPGOWBRILU-UHFFFAOYSA-NInChI: 1S/C18H16N2O6/c21-14-8-9-15(22)19(14)13-6-4-12(5-7-13)2-1-3-18(25)26-20-16(23)10-11-17(20)24/h4-9H,1-3,10-11H2
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荭草苷CAS号: 28608-75-5分子式: C21H20O11 分子量: 448.38IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-oneSMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)OInChIKey: PLAPMLGJVGLZOV-VPRICQMDSA-NInChI: 1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1
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芒柄花苷CAS号: 486-62-4分子式: C22H22O9 分子量: 430.4IUPAC Name: 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneSMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)OInChIKey: MGJLSBDCWOSMHL-MIUGBVLSSA-NInChI: 1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
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荜茇酰胺CAS号: 20069-09-4 Compound CID : 637858分子式: C17H19NO5 分子量: 317.34IUPAC Name: 1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-oneSMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=CC2=OInChIKey: VABYUUZNAVQNPG-BQYQJAHWSA-NInChI: 1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+
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9-(N-甲基甘氨酸)-P 物质CAS号: 77128-75-7 Compound CID : 5049868分子式: C64H100N18O13S 分子量: 1361.66IUPAC Name: See moreSMILES: CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CN(C)C(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C4CCCN4C(=O)C(CCCN=C(N)N)NInChIKey: CMARLNZAQITWSL-UHFFFAOYSA-NInChI: See more
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