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D-葡萄糖-¹³C₆,1,2,3,4,5,6,6-d₇CAS号 : 201417-01-8 Compound CID : 71777455分子式: 13C6H5D7O6 分子量: 193.15IUPAC Name: (2R,3S,4R,5R)-1,2,3,4,5,6,6-heptadeuterio-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexan-1-oneSMILES: C(C(C(C(C(C=O)O)O)O)O)OInChIKey: GZCGUPFRVQAUEE-VVZLUFAVSA-NInChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1D,2+1D2,3+1D,4+1D,5+1D,6+1D
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(S)-1-(4-氯苯基)-1-丙胺盐酸盐CAS号 : 1310923-37-5 Compound CID : 53484803分子式: C9H13Cl2N 分子量: 206.11IUPAC Name: (1S)-1-(4-chlorophenyl)propan-1-amine;hydrochlorideSMILES: CCC(C1=CC=C(C=C1)Cl)N.ClInChIKey: GGFMDYMEAQPNPZ-FVGYRXGTSA-NInChI: InChI=1S/C9H12ClN.ClH/c1-2-9(11)7-3-5-8(10)6-4-7;/h3-6,9H,2,11H2,1H3;1H/t9-;/m0./s1
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N-(4-苯胺基苯基)马来酰亚胺CAS号 : 32099-65-3分子式: C16H12N2O2 分子量: 264.28SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N3C(=O)C=CC3=OInChIKey: KPNYFXUDBVQRNK-UHFFFAOYSA-NInChI: InChI=1S/C16H12N2O2/c19-15-10-11-16(20)18(15)14-8-6-13(7-9-14)17-12-4-2-1-3-5-12/h1-11,17H
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1-甲基-1-丙基吡咯烷-1-鎓溴化物CAS号 : 608140-09-6 Compound CID : 16719897分子式: C8H18BrN 分子量: 208.14IUPAC Name: 1-methyl-1-propylpyrrolidin-1-ium;bromideSMILES: CCC[N+]1(CCCC1)C.[Br-]InChIKey: VLJAZZWDBWKZBL-UHFFFAOYSA-MInChI: InChI=1S/C8H18N.BrH/c1-3-6-9(2)7-4-5-8-9;/h3-8H2,1-2H3;1H/q+1;/p-1
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1-甲基-1-丙基吡咯烷-1-鎓溴化物CAS号 : 608140-09-6 Compound CID : 16719897分子式: C8H18BrN 分子量: 208.14IUPAC Name: 1-methyl-1-propylpyrrolidin-1-ium;bromideSMILES: CCC[N+]1(CCCC1)C.[Br-]InChIKey: VLJAZZWDBWKZBL-UHFFFAOYSA-MInChI: InChI=1S/C8H18N.BrH/c1-3-6-9(2)7-4-5-8-9;/h3-8H2,1-2H3;1H/q+1;/p-1
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1-(甲磺酰基)-1H-苯并三唑CAS号 : 37073-15-7 Compound CID : 792044分子式: C7H7N3O2S 分子量: 197.21IUPAC Name: 1-methylsulfonylbenzotriazoleSMILES: CS(=O)(=O)N1C2=CC=CC=C2N=N1InChIKey: OMMZSDGGKVRGGP-UHFFFAOYSA-NInChI: InChI=1S/C7H7N3O2S/c1-13(11,12)10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3
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2-(1-金刚烷基)-4-甲基-苯酚CAS号 : 41031-50-9 Compound CID : 617992分子式: C17H22O 分子量: 242.36IUPAC Name: 2-(1-adamantyl)-4-methylphenolSMILES: CC1=CC(=C(C=C1)O)C23CC4CC(C2)CC(C4)C3InChIKey: XHLJIHBDAJFXBE-UHFFFAOYSA-NInChI: InChI=1S/C17H22O/c1-11-2-3-16(18)15(4-11)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14,18H,5-10H2,1H3
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苝艳固黑S-1086(颜料黑32)CAS号 : 83524-75-8 Compound CID : 15123833IUPAC Name: 7,18-bis[(4-methoxyphenyl)methyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetroneSMILES: COC1=CC=C(C=C1)CN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)CC9=CC=C(C=C9)OC)C2=OInChIKey: LQDAMBYDGRGJGA-UHFFFAOYSA-NInChI: InChI=1S/C40H26N2O6/c1-47-23-7-3-21(4-8-23)19-41-37(43)29-15-11-25-27-13-17-31-36-32(40(46)42(39(31)45)20-22-5-9-24(48-2)10-6-22)18-14-28(34(27)36)26-12-16-30(38(41)44)35(29)33(25)26/h3-18H,19-20H2,1-2H3
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3，4-二氢-3，4-二羟基萘-1(2H)-酮CAS号 : 1220891-22-4分子式: C10H10O3 分子量: 178.185SMILES: C1C(C(C2=CC=CC=C2C1=O)O)OInChIKey: NOCQQUBFJURTDN-UHFFFAOYSA-NInChI: InChI=1S/C10H10O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4,9-10,12-13H,5H2
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3，5，7-三羟基色原酮CAS号 : 31721-95-6 Compound CID : 46886154IUPAC Name: 3,5,7-trihydroxychromen-4-oneSMILES: C1=C(C=C2C(=C1O)C(=O)C(=CO2)O)OInChIKey: OZNMEZAXFKUCPN-UHFFFAOYSA-NInChI: InChI=1S/C9H6O5/c10-4-1-5(11)8-7(2-4)14-3-6(12)9(8)13/h1-3,10-12H
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4'-Demethyl-3，9-dihydroeucominCAS号 : 107585-77-3 Compound CID : 9971218IUPAC Name: 5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-oneSMILES: C1C(C(=O)C2=C(C=C(C=C2O1)O)O)CC3=CC=C(C=C3)OInChIKey: FIASLUPJXGTCKM-UHFFFAOYSA-NInChI: InChI=1S/C16H14O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-4,6-7,10,17-19H,5,8H2
