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棕榈酸-1,2,3,4-¹³C₄CAS号: 287100-89-4分子式: CH3(CH2)11(13CH2)313CO2H 分子量: 260.39IUPAC Name: (1,2,3,4-13C4)hexadecanoic acidSMILES: CCCCCCCCCCCCCCCC(=O)OInChIKey: IPCSVZSSVZVIGE-FIZPRHLTSA-NInChI: 1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i13+1,14+1,15+1,16+1
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硬脂酸-¹³C₁₈CAS号: 287100-83-8 Compound CID : 16217539分子式: (¹³C)18H36O2 分子量: 302.35IUPAC Name: (1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-13C18)octadecanoic acidSMILES: CCCCCCCCCCCCCCCCCC(=O)OInChIKey: QIQXTHQIDYTFRH-HXPQJNGISA-NInChI: 1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,18+1
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月桂酰氯化胆碱水合物CAS号: 25234-60-0分子式: C17H36ClNO2·xH2O 分子量: 321.93(as Anhydrous)IUPAC Name: 2-dodecanoyloxyethyl(trimethyl)azanium;chlorideSMILES: CCCCCCCCCCCC(=O)OCC[N+](C)(C)C.[Cl-]InChIKey: BBJUKVPDIPYNBS-UHFFFAOYSA-MInChI: 1S/C17H36NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-17(19)20-16-15-18(2,3)4;/h5-16H2,1-4H3;1H/q+1;/p-1
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新橙皮甙二氢查尔酮CAS号: 20702-77-6 EC号: 243-978-6分子式: C28H36O15 分子量: 612.58IUPAC Name: 1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-oneSMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC(=C(C=C4)OC)O)O)CO)O)O)O)O)OInChIKey: ITVGXXMINPYUHD-CUVHLRMHSA-NInChI: See more
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硝基荧光素,异构体2CAS号: 27402-68-2分子式: C20H11NO7 分子量: 377.31IUPAC Name: 3',6'-dihydroxy-5-nitrospiro[2-benzofuran-3,9'-xanthene]-1-oneSMILES: C1=CC2=C(C=C1[N+](=O)[O-])C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=OInChIKey: GYWGQAIDMYGOLU-UHFFFAOYSA-NInChI: 1S/C20H11NO7/c22-11-2-5-14-17(8-11)27-18-9-12(23)3-6-15(18)20(14)16-7-10(21(25)26)1-4-13(16)19(24)28-20/h1-9,22-23H
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芸香苷水合物CAS号: 207671-50-9 Compound CID : 16218542分子式: C27H30O16·xH2O 分子量: 610.52IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrateSMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.OInChIKey: NLLBWFFSGHKUSY-JPRRWYCFSA-NInChI: See more
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DL-O-甲基丝氨酸CAS号: 19794-53-7 Compound CID : 97963分子式: C4H9NO3 分子量: 119.12IUPAC Name: 2-amino-3-methoxypropanoic acidSMILES: COCC(C(=O)O)NInChIKey: KNTFCRCCPLEUQZ-UHFFFAOYSA-NInChI: 1S/C4H9NO3/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
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L-犬尿氨酸水合物CAS号: 2922-83-0分子式: C10H12N2O3·xH2O 分子量: 208.22(as Anhydrous)IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acidSMILES: C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)NInChIKey: YGPSJZOEDVAXAB-QMMMGPOBSA-NInChI: 1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
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β-丙氨酸苄酯对甲苯磺酸盐CAS号: 27019-47-2分子式: C10H13NO2·C7H8O3S 分子量: 351.42IUPAC Name: benzyl 3-aminopropanoate;4-methylbenzenesulfonic acidSMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CCNInChIKey: FRHWYVGCFUQMJR-UHFFFAOYSA-NInChI: 1S/C10H13NO2.C7H8O3S/c11-7-6-10(12)13-8-9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-8,11H2;2-5H,1H3,(H,8,9,10)
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D-半乳糖醛酸 钠盐CAS号: 14984-39-5分子式: C6H9NaO7 分子量: 216.12IUPAC Name: sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoateSMILES: C(=O)C(C(C(C(C(=O)[O-])O)O)O)O.[Na+]InChIKey: WNFHGZLVUQBPMA-RMTXHFLUSA-MInChI: 1S/C6H10O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h1-5,8-11H,(H,12,13);/q;+1/p-1/t2-,3+,4+,5-;/m0./s1
