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Nε，Nε，Nε-三甲基赖氨酸 盐酸盐CAS号 : 55528-53-5 Compound CID : 57350924分子式: C9H20N2O2・HCl 分子量: 224.73IUPAC Name: [(5S)-5-amino-5-carboxypentyl]-trimethylazanium;chlorideSMILES: C[N+](C)(C)CCCCC(C(=O)O)N.[Cl-]InChIKey: ZKIJKCHCMFGMCM-QRPNPIFTSA-NInChI: InChI=1S/C9H20N2O2.ClH/c1-11(2,3)7-5-4-6-8(10)9(12)13;/h8H,4-7,10H2,1-3H3;1H/t8-;/m0./s1
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1,2-二油酰基-sn-丙三基-3-磷脂酰乙醇胺（DOPE）CAS号 : 4004-05-1分子式: C41H78NO8P 分子量: 744.05IUPAC Name: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoateSMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCCInChIKey: MWRBNPKJOOWZPW-NYVOMTAGSA-NInChI: InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
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1-油基-2-乙酰基-sn-甘油CAS号 : 86390-77-4分子式: C23H42O5 分子量: 398.57IUPAC Name: [(2S)-2-acetyloxy-3-hydroxypropyl] (Z)-octadec-9-enoateSMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CInChIKey: PWTCCMJTPHCGMS-YRBAHSOBSA-NInChI: InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h10-11,22,24H,3-9,12-20H2,1-2H3/b11-10-/t22-/m0/s1
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L-丝氨酸-¹³C₃,¹⁵NCAS号 : 202407-34-9 Compound CID : 71310240分子式: (¹³C)₃H₇(₁₅N)O₃ 分子量: 109.06SMILES: [13CH2]([C@@H]([13C](=O)O)[15NH2])O
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L-天冬氨酸-¹³C₄,¹⁵NCAS号 : 202468-27-7 Compound CID : 16217560分子式: HO213C13CH213CH(15NH2)13CO2H 分子量: 138.07IUPAC Name: (2S)-2-(15N)azanyl(1,2,3,4-13C4)butanedioic acidSMILES: C(C(C(=O)O)N)C(=O)OInChIKey: CKLJMWTZIZZHCS-NYTNKSBQSA-NInChI: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i1+1,2+1,3+1,4+1,5+1
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伊利西林CCAS号 : 22562-67-0 Compound CID : 24094116分子式: C23H31ClO4 分子量: 406.94IUPAC Name: 5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehydeSMILES: CC1CCC(=O)C(C1(C)CCC(=CCC2=C(C(=C(C(=C2O)Cl)C)C=O)O)C)CInChIKey: IJEHYEVNWOYGMS-WGUBEYSISA-NInChI: InChI=1S/C23H31ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,12,14,16,27-28H,7-11H2,1-5H3/b13-6+/t14-,16+,23+/m1/s1
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Carviolin分子式: C16H12O6 分子量: 300.26IUPAC Name: 1,3-dihydroxy-6-(hydroxymethyl)-8-methoxyanthracene-9,10-dioneSMILES: COC1=CC(=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3O)O)COInChIKey: XNMZBRJAWRIJII-UHFFFAOYSA-NInChI: InChI=1S/C16H12O6/c1-22-12-3-7(6-17)2-9-14(12)16(21)13-10(15(9)20)4-8(18)5-11(13)19/h2-5,17-19H,6H2,1H3
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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
