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小分子和化合物库
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L-丙氨酸-3-¹³CCAS号: 65163-25-9分子式: 13CH3CH(NH2)CO2H 分子量: 90.09IUPAC Name: (2S)-2-amino(313C)propanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-IJGDANSWSA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1
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L-亮氨酸-1-¹³CCAS号: 74292-94-7分子式: (CH3)2CHCH2CH(NH2)13CO2H 分子量: 132.17IUPAC Name: (2S)-2-amino-4-methyl(113C)pentanoic acidSMILES: CC(C)CC(C(=O)O)NInChIKey: ROHFNLRQFUQHCH-SANWUMGISA-NInChI: 1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i6+1
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L-天冬氨酸-1-¹³CCAS号: 81201-97-0分子式: HO2CCH2CH(NH2)13CO2H 分子量: 134.1IUPAC Name: (2S)-2-amino(113C)butanedioic acidSMILES: C(C(C(=O)O)N)C(=O)OInChIKey: CKLJMWTZIZZHCS-GZPBOPPUSA-NInChI: 1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i4+1
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L-缬氨酸-1-¹³CCAS号: 81201-85-6分子式: (CH3)2CHCH(NH2)13CO2H 分子量: 118.14IUPAC Name: (2S)-2-amino-3-methyl(113C)butanoic acidSMILES: CC(C)C(C(=O)O)NInChIKey: KZSNJWFQEVHDMF-TXZHAAMZSA-NInChI: 1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i5+1
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L-苯丙氨酸-1-¹³CCAS号: 81201-86-7分子式: C6H5CH2CH(NH2)13CO2H 分子量: 166.18IUPAC Name: (2S)-2-amino-3-phenyl(113C)propanoic acidSMILES: C1=CC=C(C=C1)CC(C(=O)O)NInChIKey: COLNVLDHVKWLRT-DMSOPOIOSA-NInChI: 1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i9+1
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L-苯丙氨酸-3-¹³CCAS号: 136056-02-5分子式: C6H513CH2CH(NH2)CO2H 分子量: 166.18IUPAC Name: (2S)-2-amino-3-phenyl(313C)propanoic acidSMILES: C1=CC=C(C=C1)CC(C(=O)O)NInChIKey: COLNVLDHVKWLRT-JCNVXSMLSA-NInChI: 1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i6+1
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L-谷氨酸-3-¹³CCAS号: 115473-51-3分子式: HO2CCH213CH2CH(NH2)CO2H 分子量: 148.12IUPAC Name: (2S)-2-amino(313C)pentanedioic acidSMILES: C(CC(=O)O)C(C(=O)O)NInChIKey: WHUUTDBJXJRKMK-AANACRNLSA-NInChI: 1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/i1+1
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Mussaendoside SCAS号: 165198-41-4分子量: 810.96SMILES: O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)O[C@@H](CC[C@]2(C3CC[C@@]4(C2CC=C5[C@]4(CC[C@@]6([C@]5([C@H]([C@@H](CC6)C)C)[H])C(O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)CO)=O)C(O)=O)C)C)C3(C)CInChIKey: LDCLXZSKVDYDBF-NCWMSNPISA-NInChI: See more
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NK-A 17E-233ICAS号: 115103-30-5分子式: C15H16O5 分子量: 276.28IUPAC Name: 3-(2-hydroxy-4-methoxy-6-methylphenoxy)-5-methylbenzene-1,2-diolSMILES: CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2C)OC)O)O)OInChIKey: JGXPRDVSWGDODG-UHFFFAOYSA-NInChI: 1S/C15H16O5/c1-8-4-11(16)14(18)13(5-8)20-15-9(2)6-10(19-3)7-12(15)17/h4-7,16-18H,1-3H3
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Olivil 4'-O-β-D-吡喃葡萄糖苷CAS号: 56440-73-4分子式: C26H34O12 分子量: 538.54IUPAC Name: (2S,3R,4S,5S,6R)-2-[4-[(3R,4S)-4-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: COC1=C(C=CC(=C1)CC2(COC(C2CO)C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)O)OInChIKey: OXHVZEZYYQQCRJ-ZLNFVOGTSA-NInChI: See more
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Proferrioxamine-D2CAS号: 126988-91-8 Compound CID : 14671620分子式: C26H46N6O9 分子量: 586.68IUPAC Name: 1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexoneSMILES: C1CCNC(=O)CCC(=O)N(CCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC1)O)O)OInChIKey: SXTGVXKFOVZYIK-UHFFFAOYSA-NInChI: 1S/C26H46N6O9/c33-21-9-12-24(36)30(39)18-6-2-4-16-28-22(34)10-14-26(38)32(41)20-8-5-17-29-23(35)11-13-25(37)31(40)19-7-1-3-15-27-21/h39-41H,1-20H2,(H,27,33)(H,28,34)(H,29,35)
