小分子和化合物库
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芹菜素分子式: C15H10O5 分子量: 270.24IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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绿原酸分子式: C16H18O9 分子量: 354.31IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acidSMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=OInChIKey: CWVRJTMFETXNAD-JUHZACGLSA-NInChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
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白藜芦醇-4’-甲醚CAS号 : 33626-08-3 Compound CID : 6255462分子式: C15H14O3 分子量: 242.27IUPAC Name: 5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diolSMILES: COC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)O)OInChIKey: IHVRWFJGOIWMGC-NSCUHMNNSA-NInChI: InChI=1S/C15H14O3/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10,16-17H,1H3/b3-2+
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PonalrestatCAS号 : 72702-95-5 Compound CID : 5278分子式: C17H12BrFN2O3 分子量: 391.2IUPAC Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetic acidSMILES: C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)OInChIKey: LKBFFDOJUKLQNY-UHFFFAOYSA-NInChI: InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23)
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吴茱萸次碱CAS号 : 84-26-4(DMSO)分子式: C18H13N3O 分子量: 287.32SMILES: O=C1N2CCC3=C([NH]C4=C3C=CC=C4)C2=NC5=C1C=CC=C5
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异甘草素CAS号 : 961-29-5(DMSO)分子式: C15H12O4 分子量: 256.25SMILES: OC1=CC=C(C=C1)\C=C\C(=O)C2=C(O)C=C(O)C=C2
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木犀草素CAS号 : 491-70-3(DMSO)分子式: C15H10O6 分子量: 286.24SMILES: OC1=CC(=C2C(=O)C=C(OC2=C1)C3=CC=C(O)C(=C3)O)O
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杨梅素CAS号 : 529-44-2(DMSO)分子式: C15H10O8 分子量: 318.24SMILES: OC1=CC(=C2C(=O)C(=C(OC2=C1)C3=CC(=C(O)C(=C3)O)O)O)O
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舒林酸CAS号 : 38194-50-2(DMSO)分子式: C20H17FO3S 分子量: 356.41SMILES: CC1=C(CC(O)=O)C2=C(C=CC(=C2)F)\C1=C/C3=CC=C(C=C3)[S](C)=O
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芹菜素CAS号 : 520-36-5(DMSO)分子式: C15H10O5 分子量: 270.24SMILES: OC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(O)C=C3O
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