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脱落酸(天然)CAS号 : 21293-29-8 Compound CID : 5280896分子式: C15H20O4 分子量: 264.32IUPAC Name: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acidSMILES: CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)CInChIKey: JLIDBLDQVAYHNE-YKALOCIXSA-NInChI: InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1
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(β,β-二甲基丙烯酰基)紫草素CAS号 : 24502-79-2分子式: C21H22O6 分子量: 370.40IUPAC Name: [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoateSMILES: CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C)CInChIKey: BATBOVZTQBLKIL-QGZVFWFLSA-NInChI: InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m1/s1
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大黄素分子式: C15H10O5 分子量: 270.24IUPAC Name: 1,3,8-trihydroxy-6-methylanthracene-9,10-dioneSMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OInChIKey: RHMXXJGYXNZAPX-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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亮肽素CAS号 : 103476-89-7 Compound CID : 2733491分子式: C20H38N6O4·1/2(H2SO4) 分子量: 475.59IUPAC Name: (2S)-2-acetamido-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide;sulfuric acidSMILES: CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C.CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C.OS(=O)(=O)OInChIKey: CIPMKIHUGVGQTG-VFFZMTJFSA-NInChI: InChI=1S/2C20H38N6O4.H2O4S/c2*1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22;1-5(2,3)4/h2*11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23);(H2,1,2,3,4)/t2*15-,16-,17-;/m00./s1
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内消旋酒石酸一水合物分子式: C4H6O6·H2O 分子量: 168.10IUPAC Name: (2R,3S)-2,3-dihydroxybutanedioic acid;hydrateSMILES: [H]O[H].O[C@H]([C@H](O)C(O)=O)C(O)=OInChIKey: UUDLQDCYDSATCH-NUGIMEKKSA-NInChI: InChI=1S/C4H6O6.H2O/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);1H2/t1-,2+;
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胞苷5′-三磷酸二钠盐水合物CAS号 : 652154-13-7 Compound CID : 16211931分子式: C9H16N3Na2O15P3 分子量: 545.14IUPAC Name: disodium;[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrateSMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O.O.[Na+].[Na+]InChIKey: IJMSOWKYYIROGP-LLWADOMFSA-LInChI: InChI=1S/C9H16N3O14P3.2Na.H2O/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18);;;1H2/q;2*+1;/p-2/t4-,6-,7-,8-;;;/m1.../s1
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DL-哌酸-d9CAS号 : 790612-94-1 Compound CID : 71309976分子式: C6H2D9NO2 分子量: 138.21IUPAC Name: 2,3,3,4,4,5,5,6,6-nonadeuteriopiperidine-2-carboxylic acidSMILES: C1CCNC(C1)C(=O)OInChIKey: HXEACLLIILLPRG-UHUJFCCWSA-NInChI: InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/i1D2,2D2,3D2,4D2,5D
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桑黄素分子式: C15H10O7 分子量: 302.24IUPAC Name: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-oneSMILES: C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: YXOLAZRVSSWPPT-UHFFFAOYSA-NInChI: InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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(−)-表儿茶素CAS号 : 490-46-0分子式: C15H14O6 分子量: 290.27IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triolSMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OInChIKey: PFTAWBLQPZVEMU-UKRRQHHQSA-NInChI: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
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20-羧基白三烯B4CAS号 : 80434-82-8 Compound CID : 5280877分子式: C20H30O6 分子量: 366.45IUPAC Name: (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenedioic acidSMILES: C(CCC(=O)O)CC=CCC(C=CC=CC=CC(CCCC(=O)O)O)OInChIKey: SXWGPVJGNOLNHT-VFLUTPEKSA-NInChI: InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-18,21-22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m1/s1
