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4,5-亚甲二氧基-1,2-苯二胺二盐酸盐CAS号 : 81864-15-5 Compound CID : 12896362分子式: C7H8N2O2·2HCl 分子量: 225.07IUPAC Name: 1,3-benzodioxole-5,6-diamine;dihydrochlorideSMILES: C1OC2=C(O1)C=C(C(=C2)N)N.Cl.ClInChIKey: YXEJRYIEFFUUID-UHFFFAOYSA-NInChI: InChI=1S/C7H8N2O2.2ClH/c8-4-1-6-7(2-5(4)9)11-3-10-6;;/h1-2H,3,8-9H2;2*1H
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丁酸-4-甲基伞形酮CAS号 : 17695-46-4 Compound CID : 87247分子式: C14H14O4 分子量: 246.26IUPAC Name: (4-methyl-2-oxochromen-7-yl) butanoateSMILES: CCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)CInChIKey: WKPUJZVCZXWKCK-UHFFFAOYSA-NInChI: InChI=1S/C14H14O4/c1-3-4-13(15)17-10-5-6-11-9(2)7-14(16)18-12(11)8-10/h5-8H,3-4H2,1-2H3
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N-乙酰基-2-O-(4-甲基-2-氧代-2H-1-苯并吡喃-7-基)-ALPHA-神经氨酸一钠盐CAS号 : 76204-02-9 Compound CID : 23683295分子式: C21H24NNaO11 · xH2O 分子量: 489.41IUPAC Name: sodium;(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-methyl-2-oxochromen-7-yl)oxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylateSMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)O)C(=O)[O-].[Na+]InChIKey: NNNXBDLJYKMDAI-BUIQBYSTSA-MInChI: InChI=1S/C21H25NO11.Na/c1-9-5-16(27)31-15-6-11(3-4-12(9)15)32-21(20(29)30)7-13(25)17(22-10(2)24)19(33-21)18(28)14(26)8-23;/h3-6,13-14,17-19,23,25-26,28H,7-8H2,1-2H3,(H,22,24)(H,29,30);/q;+1/p-1/t13-,14+,17+,18+,19+,21-;/m0./s1
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N-(2-氨基乙基)马来酰亚胺 三氟乙酸盐CAS号 : 146474-00-2 Compound CID : 16212752分子式: C8H9F3N2O4 分子量: 254.163IUPAC Name: 1-(2-aminoethyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acidSMILES: C1=CC(=O)N(C1=O)CCN.C(=O)(C(F)(F)F)OInChIKey: YNHKVOGCDPODMT-UHFFFAOYSA-NInChI: InChI=1S/C6H8N2O2.C2HF3O2/c7-3-4-8-5(9)1-2-6(8)10;3-2(4,5)1(6)7/h1-2H,3-4,7H2;(H,6,7)
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Nα-(2,4-二硝基-5-氟苯基)-L-丙氨酰胺CAS号 : 95713-52-3 Compound CID : 5486955分子式: C9H9FN4O5 分子量: 272.19IUPAC Name: (2S)-2-(5-fluoro-2,4-dinitroanilino)propanamideSMILES: CC(C(=O)N)NC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])FInChIKey: NEPLBHLFDJOJGP-BYPYZUCNSA-NInChI: InChI=1S/C9H9FN4O5/c1-4(9(11)15)12-6-2-5(10)7(13(16)17)3-8(6)14(18)19/h2-4,12H,1H3,(H2,11,15)/t4-/m0/s1
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O-磷酸基-L-酪氨酸CAS号 : 21820-51-9 Compound CID : 30819分子式: C9H12NO6P 分子量: 261.17IUPAC Name: (2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acidSMILES: C1=CC(=CC=C1CC(C(=O)O)N)OP(=O)(O)OInChIKey: DCWXELXMIBXGTH-QMMMGPOBSA-NInChI: InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
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虎杖苷CAS号 : 27208-80-6 Compound CID : 5281718分子式: C20H22O8 分子量: 390.39IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OInChIKey: HSTZMXCBWJGKHG-CUYWLFDKSA-NInChI: InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
