小分子和化合物库
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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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                        D-葡萄糖-¹³C₆,1,2,3,4,5,6,6-d₇CAS号: 201417-01-8分子式: 13C6H5D7O6 分子量: 193.15IUPAC Name: (2R,3S,4R,5R)-1,2,3,4,5,6,6-heptadeuterio-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexan-1-oneSMILES: C(C(C(C(C(C=O)O)O)O)O)OInChIKey: GZCGUPFRVQAUEE-VVZLUFAVSA-NInChI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1D,2+1D2,3+1D,4+1D,5+1D,6+1D
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                        L-丙氨酸-2-¹³C,¹⁵NCAS号: 285977-86-8分子式: CH313CH(15NH2)CO2H 分子量: 91.08IUPAC Name: (2R)-2-(15N)azanyl(213C)propanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-GMWHYDPQSA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1/i2+1,4+1
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                        普罗布考-丙酰基-¹³C3CAS号: 1173019-29-8分子式: ¹³C3C28H48O2S2 分子量: 519.82SMILES: CC(C)(C)c1cc(S[13C]([13CH3])([13CH3])Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)CInChIKey: FYPMFJGVHOHGLL-DGVNISHSSA-NInChI: 1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3/i13+1,14+1,31+1
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                        甘氨酸-2-¹³C,¹⁵NCAS号: 91795-59-4分子式: H215N13CH2CO2H 分子量: 77.05IUPAC Name: 2-(15N)azanylacetic acidSMILES: C(C(=O)O)NInChIKey: DHMQDGOQFOQNFH-ZKDXJZICSA-NInChI: 1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1+1,3+1
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                        胍-¹³C,¹⁵N₃盐酸盐CAS号: 285977-73-3分子式: 13CH6Cl¹⁵N3 分子量: 99.5IUPAC Name: (13C)guanidine;hydrochlorideSMILES: C(=N)(N)N.ClInChIKey: PJJJBBJSCAKJQF-UJNKEPEOSA-NInChI: 1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H/i1+1,2+1,3+1,4+1;
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