Endogenous Metabolite
选项
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芹菜素分子式: C15H10O5 分子量: 270.24IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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4-雄烯-11β-醇-3,17-二酮分子式: C19H26O3 分子量: 302.41IUPAC Name: (8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dioneSMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4=O)C)OInChIKey: WSCUHXPGYUMQEX-KCZNZURUSA-NInChI: InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1
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D-(-)-阿拉伯糖CAS号 : 10323-20-3 Compound CID : 66308分子式: C5H10O5 分子量: 150.13IUPAC Name: (2S,3R,4R)-2,3,4,5-tetrahydroxypentanalSMILES: C(C(C(C(C=O)O)O)O)OInChIKey: PYMYPHUHKUWMLA-WDCZJNDASA-NInChI: InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m1/s1
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N-乙酰神经氨酸分子式: C11H19NO9 分子量: 309.27IUPAC Name: (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acidSMILES: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)OInChIKey: SQVRNKJHWKZAKO-PFQGKNLYSA-NInChI: InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1
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4-氨基-L-苯丙氨酸分子式: C9H12N2O2 分子量: 180.2IUPAC Name: (2S)-2-amino-3-(4-aminophenyl)propanoic acidSMILES: C1=CC(=CC=C1CC(C(=O)O)N)NInChIKey: CMUHFUGDYMFHEI-QMMMGPOBSA-NInChI: InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1
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L-精氨酸分子式: C6H14N4O2 分子量: 174.20 g/molIUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acidSMILES: C(CC(C(=O)O)N)CN=C(N)NInChIKey: ODKSFYDXXFIFQN-BYPYZUCNSA-NInChI: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
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腺苷-5′-三磷酸 二钠盐 水合物CAS号 : 34369-07-8 Compound CID : 16218877分子式: C10H14N5Na2O13P3·xH2O 分子量: 551.14(anhydrous basis)IUPAC Name: disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrateSMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O)N.O.[Na+].[Na+]InChIKey: NTBQNWBHIXNPRU-MSQVLRTGSA-LInChI: InChI=1S/C10H16N5O13P3.2Na.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;;1H2/q;2*+1;/p-2/t4-,6-,7-,10-;;;/m1.../s1
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