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油酸-d17CAS号: 223487-44-3分子式: C18H17D17O2 分子量: 299.57IUPAC Name: (Z)-11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptadecadeuteriooctadec-9-enoic acidSMILES: CCCCCCCCC=CCCCCCCCC(=O)OInChIKey: ZQPPMHVWECSIRJ-DUGYPAGXSA-NInChI: 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2
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克霉唑-d5CAS号: 1185076-41-8分子式: C22H12D5ClN2 分子量: 349.87IUPAC Name: 1-[(2-chlorophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethyl]imidazoleSMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4InChIKey: VNFPBHJOKIVQEB-MBRJKSRSSA-NInChI: 1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H/i1D,3D,4D,9D,10D
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胆固醇-5-烯-3β,25-二醇-d6CAS号: 88247-69-2分子式: C27H40D6O2 分子量: 408.69IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)CInChIKey: INBGSXNNRGWLJU-KHKDDIDZSA-NInChI: 1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1/i2D3,3D3
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(15:3)-漆树酸CAS号: 103904-73-0分子式: C22H30O3 分子量: 342.47IUPAC Name: 2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzoic acidSMILES: C=CCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)OInChIKey: QUVGEKPNSCFQIR-UTOQUPLUSA-NInChI: 1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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3,4-二-O-没食子酰莽草酸CAS号: 95753-51-8 Compound CID : 460900分子式: C21H18O13 分子量: 478.36IUPAC Name: (3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acidSMILES: C1C(C(C(C=C1C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)OInChIKey: UFDJVOQZZQZYJG-IIDMSEBBSA-NInChI: 1S/C21H18O13/c22-10-2-8(3-11(23)16(10)27)20(31)33-15-6-7(19(29)30)1-14(26)18(15)34-21(32)9-4-12(24)17(28)13(25)5-9/h1-5,14-15,18,22-28H,6H2,(H,29,30)/t14-,15-,18-/m1/s1
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L-丙氨酸-3,3,3-d₃CAS号: 63546-27-0分子式: C3H4D3NO2 分子量: 92.11IUPAC Name: (2S)-2-amino-3,3,3-trideuteriopropanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-VGCLAIIRSA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1D3
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L-亮氨酸-5,5,5-d₃CAS号: 87828-86-2分子式: CH3CH(CD3)CH2CH(NH2)CO2H 分子量: 134.19IUPAC Name: (2S)-2-amino-5,5,5-trideuterio-4-methylpentanoic acidSMILES: CC(C)CC(C(=O)O)NInChIKey: ROHFNLRQFUQHCH-LONBSJBQSA-NInChI: 1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1D3/t4?,5-
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N-反式咖啡酰酪胺CAS号: 103188-48-3分子式: C17H17NO4 分子量: 299.32IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamideSMILES: C1=CC(=CC=C1CCNC(=O)C=CC2=CC(=C(C=C2)O)O)OInChIKey: VSHUQLRHTJOKTA-XBXARRHUSA-NInChI: 1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+
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新镰孢菌酮CAS号: 927209-87-8 Compound CID : 54684865分子式: C34H54O9 分子量: 606.79IUPAC Name: 3-[(2S,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-6-[(4E,6E,9Z)-3-hydroxy-8-(hydroxymethyl)-2,6,10,12-tetramethyloctadeca-4,6,9-trien-2-yl]pyran-2-oneSMILES: CCCCCCC(C)CC(=CC(CO)C=C(C)C=CC(C(C)(C)C1=CC(=C(C(=O)O1)C2C(C(CC(O2)CO)O)O)O)O)CInChIKey: HEECQDWUNPZALD-ZBNIOBMFSA-NInChI: See more
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橄榄苦苷酸CAS号: 96382-90-0 Compound CID : 75111051分子式: C25H30O15 分子量: 570.50IUPAC Name: 2-[4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]acetic acidSMILES: COC(=O)C1=COC(C(=CC(=O)O)C1CC(=O)OCCC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)OInChIKey: XJDJODWHDUVAGF-UHFFFAOYSA-NInChI: 1S/C25H30O15/c1-36-23(35)14-10-38-24(40-25-22(34)21(33)20(32)17(9-26)39-25)13(7-18(29)30)12(14)8-19(31)37-5-4-11-2-3-15(27)16(28)6-11/h2-3,6-7,10,12,17,20-22,24-28,32-34H,4-5,8-9H2,1H3,(H,29,30)
