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杨梅素分子式: C15H10O8 分子量: 318.24IUPAC Name: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-oneSMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: IKMDFBPHZNJCSN-UHFFFAOYSA-NInChI: 1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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杨梅素分子式: C15H10O8 分子量: 318.24IUPAC Name: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-oneSMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: IKMDFBPHZNJCSN-UHFFFAOYSA-NInChI: 1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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帕莫酸分子式: C23H16O6 分子量: 388.37IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acidSMILES: C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)OInChIKey: WLJNZVDCPSBLRP-UHFFFAOYSA-NInChI: 1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)
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丹参酮IIA分子式: C19H18O3 分子量: 294.34IUPAC Name: 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dioneSMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CInChIKey: HYXITZLLTYIPOF-UHFFFAOYSA-NInChI: 1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3
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丹参酮IIA分子式: C19H18O3 分子量: 294.34IUPAC Name: 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dioneSMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CInChIKey: HYXITZLLTYIPOF-UHFFFAOYSA-NInChI: 1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3
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布美他尼CAS号: 28395-03-1 EC号: 249-004-6分子式: C17H20N2O5S 分子量: 364.42IUPAC Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acidSMILES: CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2InChIKey: MAEIEVLCKWDQJH-UHFFFAOYSA-NInChI: 1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)
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吡咯喹啉醌 (PQQ)CAS号: 72909-34-3分子式: C14H6N2O8 分子量: 330.21IUPAC Name: 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acidSMILES: C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)O)C(=O)OInChIKey: MMXZSJMASHPLLR-UHFFFAOYSA-NInChI: 1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)
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鞣花酸分子式: C14H6O8 分子量: 302.19IUPAC Name: 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dioneSMILES: C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)OInChIKey: AFSDNFLWKVMVRB-UHFFFAOYSA-NInChI: 1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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呋塞米分子式: C12H11ClN2O5S 分子量: 330.74IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acidSMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)ClInChIKey: ZZUFCTLCJUWOSV-UHFFFAOYSA-NInChI: 1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
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双香豆素CAS号: 66-76-2分子式: C19H12O6 分子量: 336.3IUPAC Name: 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-oneSMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)OInChIKey: DOBMPNYZJYQDGZ-UHFFFAOYSA-NInChI: 1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
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CID 2745687,孤儿受体GPR35抑制剂CAS号: 264233-05-8分子式: C17H19F2N5O2S 分子量: 395.43IUPAC Name: methyl 5-[(E)-(tert-butylcarbamothioylhydrazinylidene)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylateSMILES: CC(C)(C)NC(=S)NN=CC1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)OCInChIKey: CYNLZIBKERMMOA-AWQFTUOYSA-NInChI: 1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)/b20-9+
