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三油酸甘油酯CAS号 : 122-32-7分子式: C57H104O6 分子量: 885.44IUPAC Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoateSMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCCInChIKey: PHYFQTYBJUILEZ-IUPFWZBJSA-NInChI: InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-
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乙酰胆碱-d9氯化物CAS号 : 344298-95-9 Compound CID : 45038081分子式: C7H7D9ClNO2 分子量: 190.72IUPAC Name: 2-acetyloxyethyl-tris(trideuteriomethyl)azanium;chlorideSMILES: CC(=O)OCC[N+](C)(C)C.[Cl-]InChIKey: JUGOREOARAHOCO-WWMMTMLWSA-MInChI: InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1/i2D3,3D3,4D3;
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1,7-二甲基黄嘌呤-2,4,5,6-¹³C₄-1,3,9-¹⁵N₃CAS号 : 1173018-79-5分子式: C313C4H8N¹⁵N3O2 分子量: 187.12IUPAC Name: 1,7-dimethyl-3H-purine-2,6-dioneSMILES: CN1C=NC2=C1C(=O)N(C(=O)N2)CInChIKey: QUNWUDVFRNGTCO-UDYOVZSYSA-NInChI: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)/i4+1,5+1,6+1,7+1,8+1,9+1,11+1
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1-甲基黄嘌呤-2,4,5,6-¹³C₄, 1,3,9-¹⁵N₃CAS号 : 1173018-69-3分子式: C6H6N4O2 分子量: 173.09IUPAC Name: 1-methyl-3,7-dihydropurine-2,6-dioneSMILES: CN1C(=O)C2=C(NC1=O)N=CN2InChIKey: MVOYJPOZRLFTCP-UDDVCBLJSA-NInChI: InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)/i3+1,4+1,5+1,6+1,8+1,9+1,10+1
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2-甲氧基-¹³C,d₃-雌酮CAS号 : 1217460-84-8 Compound CID : 71310682分子式: C19H24O3 分子量: 301.4IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-2-(113C)methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-oneSMILES: CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)OC)OInChIKey: WHEUWNKSCXYKBU-IQEHBMMRSA-NInChI: InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1/i2+1
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L-精氨酸-¹³C₆,¹⁵N₄盐酸盐CAS号 : 202468-25-5 Compound CID : 71310244分子式: 13C6H15Cl¹⁵N4O2 分子量: 220.59IUPAC Name: (2S)-2-(15N)azanyl-5-[bis(15N)(azanyl)(113C)methylideneamino](1,2,3,4,5-13C5)pentanoic acid;hydrochlorideSMILES: C(CC(C(=O)O)N)CN=C(N)N.ClInChIKey: KWTQSFXGGICVPE-YAUSPDTOSA-NInChI: InChI=1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1;
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涕灭威-(N-甲基-¹³C,d₃ 氨基甲酰基- ¹³C) 砜CAS号 : 1261170-76-6分子量: 227.27SMILES: [2H][13C]([2H])([2H])N[13C](=O)O\=C\\C(C)(C)S(C)(=O)=OInChIKey: YRRKLBAKDXSTNC-FONWFMSDSA-NInChI: 1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+/i3+1D3,6+1
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脱氢枞胺CAS号 : 1446-61-3分子式: C20H31N 分子量: 285.48IUPAC Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamineSMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)CInChIKey: JVVXZOOGOGPDRZ-SLFFLAALSA-NInChI: InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1
