小分子和化合物库
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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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坎地酮CAS号: 77727-18-5分子式: C22H24O4 分子量: 352.42IUPAC Name: (2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-oneSMILES: CC(=CCC1=C2C(=C(C=C1OC)OC)C(=O)CC(O2)C3=CC=CC=C3)CInChIKey: JYESOAFLKFHYHP-SFHVURJKSA-NInChI: 1S/C22H24O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,18H,11-12H2,1-4H3/t18-/m0/s1
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埃尔霉素ACAS号: 128061-13-2 Compound CID : 23815264分子量: 344.36SMILES: C[C@H]1CC2=C(C3C(=O)C4=C([C@@H]([C@]3([C@@H](C2)O)O)O)C(=CC=C4)O)C(=O)C1InChIKey: PKPHZFVECLENRP-UHFFFAOYSA-NInChI: 1S/C19H20O6/c1-8-5-9-7-13(22)19(25)16(14(9)12(21)6-8)17(23)10-3-2-4-11(20)15(10)18(19)24/h2-4,8,13,16,18,20,22,24-25H,5-7H2,1H3
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大沙人CAS号: 482-53-1分子式: C25H24O5 分子量: 404.46IUPAC Name: 5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-oneSMILES: CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC=C(C=C4)O)C=CC(O2)(C)C)CInChIKey: DCTLJGWMHPGCOS-UHFFFAOYSA-NInChI: 1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3
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对香豆醇4-O-葡萄糖苷CAS号: 120442-73-1分子式: C15H20O7 分子量: 312.32IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4,5-triolSMILES: C1=CC(=CC=C1C=CCO)OC2C(C(C(C(O2)CO)O)O)OInChIKey: CRVXJSNSTGEXDX-HHMSBIESSA-NInChI: 1S/C15H20O7/c16-7-1-2-9-3-5-10(6-4-9)21-15-14(20)13(19)12(18)11(8-17)22-15/h1-6,11-20H,7-8H2/b2-1+/t11-,12-,13+,14-,15-/m1/s1
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