小分子和化合物库
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俄勒冈CAS号: 55303-93-0分子式: C24H30O10 分子量: 478.49IUPAC Name: (5S)-1,7-bis(3,4-dihydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-oneSMILES: C1C(C(C(C(O1)OC(CCC2=CC(=C(C=C2)O)O)CC(=O)CCC3=CC(=C(C=C3)O)O)O)O)OInChIKey: AQRNEKDRSXYJIN-IRFILORWSA-NInChI: 1S/C24H30O10/c25-15(5-1-13-3-7-17(26)19(28)9-13)11-16(6-2-14-4-8-18(27)20(29)10-14)34-24-23(32)22(31)21(30)12-33-24/h3-4,7-10,16,21-24,26-32H,1-2,5-6,11-12H2/t16-,21+,22-,23+,24-/m0/s1
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假普鲁士CAS号: 24240-05-9 Compound CID : 185559分子式: C20H19NO5 分子量: 353.37IUPAC Name: 14-methyl-7,9,20,22-tetraoxa-14-azapentacyclo[15.7.0.04,12.06,10.019,23]tetracosa-1(24),4,6(10),11,17,19(23)-hexaen-2-oneSMILES: CN1CCC2=CC3=C(C=C2C(=O)CC4=CC5=C(C=C4C1)OCO5)OCO3InChIKey: ZAALQOFZFANFTF-UHFFFAOYSA-NInChI: 1S/C20H19NO5/c1-21-3-2-12-5-17-20(26-11-23-17)8-15(12)16(22)4-13-6-18-19(25-10-24-18)7-14(13)9-21/h5-8H,2-4,9-11H2,1H3
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内酯CAS号: 65408-91-5分子式: C13H12O4 分子量: 232.23IUPAC Name: (2R,3R,3aS,7aS)-3-hydroxy-2-phenyl-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-5-oneSMILES: C1=CC=C(C=C1)C2C(C3C(O2)C=CC(=O)O3)OInChIKey: ZKIRVBNLJKGIEM-WKSBVSIWSA-NInChI: 1S/C13H12O4/c14-10-7-6-9-13(17-10)11(15)12(16-9)8-4-2-1-3-5-8/h1-7,9,11-13,15H/t9-,11+,12+,13+/m0/s1
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凯洛赛德CAS号: 17226-75-4分子式: C19H20O10 分子量: 408.36IUPAC Name: 4-methoxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furo[3,2-g]chromen-5-oneSMILES: COC1=C2C=COC2=CC3=C1C(=O)C=C(O3)COC4C(C(C(C(O4)CO)O)O)OInChIKey: SJRACCTZSAUMGO-WIMVFMHDSA-NInChI: 1S/C19H20O10/c1-25-18-9-2-3-26-11(9)5-12-14(18)10(21)4-8(28-12)7-27-19-17(24)16(23)15(22)13(6-20)29-19/h2-5,13,15-17,19-20,22-24H,6-7H2,1H3/t13-,15-,16+,17-,19-/m1/s1
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切布甙ⅡCAS号: 149475-28-5分子量: 666.84SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6OInChIKey: DZVIFFMYEULLBY-ZBNHRINCSA-NInChI: See more
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刺五加乙CAS号: 194851-33-7分子量: 568.52SMILES: COc1cccc2cc3C(=O)O[C@H](C)c3c(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c12InChIKey: PAEOIXITAYMQRF-ZAEQARNUSA-NInChI: See more
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劳丹醇酸CAS号: 10267-24-0分子量: 324.5SMILES: C[C@@H](CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)CC(O)=OInChIKey: KHCCSRVJJDOANA-RQOBALISSA-NInChI: 1S/C20H36O3/c1-14(13-17(21)22)7-8-16-19(4)11-6-10-18(2,3)15(19)9-12-20(16,5)23/h14-16,23H,6-13H2,1-5H3,(H,21,22)/t14-,15-,16+,19-,20+/m0/s1
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卡帕色烯CAS号: 57498-96-1分子式: C20H16O5 分子量: 336.34IUPAC Name: 5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-oneSMILES: CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)CInChIKey: YXOATFKTEDZPFL-UHFFFAOYSA-NInChI: 1S/C20H16O5/c1-20(2)8-7-13-16(25-20)10-17-18(19(13)23)14(22)9-15(24-17)11-3-5-12(21)6-4-11/h3-10,21,23H,1-2H3
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同甘酸CAS号: 35986-06-2分子式: C11H20O4 分子量: 216.27IUPAC Name: (2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acidSMILES: CCC(CC1CCC(O1)C(C)C(=O)O)OInChIKey: HTCUURQJNZBKIA-XFWSIPNHSA-NInChI: 1S/C11H20O4/c1-3-8(12)6-9-4-5-10(15-9)7(2)11(13)14/h7-10,12H,3-6H2,1-2H3,(H,13,14)/t7-,8+,9+,10-/m1/s1
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哥伦宾CAS号: 546-97-4分子式: C20H22O6 分子量: 358.39IUPAC Name: (1R,2S,3S,5S,8R,11R,12R)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dioneSMILES: CC12CCC3C(=O)OC(CC3(C1C4C=CC2(C(=O)O4)O)C)C5=COC=C5InChIKey: AALLCALQGXXWNA-QJNFORGASA-NInChI: 1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13+,14-,15-,18+,19+,20-/m0/s1
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