小分子和化合物库
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Acerogenin GCAS号: 130233-83-9分子式: C19H22O3 分子量: 298.38IUPAC Name: 1,7-bis(4-hydroxyphenyl)heptan-3-oneSMILES: C1=CC(=CC=C1CCCCC(=O)CCC2=CC=C(C=C2)O)OInChIKey: QUHYUSAHBDACNG-UHFFFAOYSA-NInChI: 1S/C19H22O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h5-6,8-9,11-14,21-22H,1-4,7,10H2
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Aceroside VIICAS号: 104109-45-7分子式: C25H34O8 分子量: 462.53IUPAC Name: (2S,3S,4R,5R,6S)-2-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: C1=CC(=CC=C1CCCCC(CCC2=CC=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O)OInChIKey: MAUAGULXOHJIER-MVMXRKHSSA-NInChI: 1S/C25H34O8/c26-15-21-22(29)23(30)24(31)25(33-21)32-20(14-9-17-7-12-19(28)13-8-17)4-2-1-3-16-5-10-18(27)11-6-16/h5-8,10-13,20-31H,1-4,9,14-15H2/t20?,21-,22-,23+,24-,25-/m0/s1
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Bayogenin-3-O-β-D-葡萄糖醛酸吡喃糖苷-28-O-β-D-吡喃葡萄糖基酯CAS号: 178248-96-9分子量: 826.96SMILES: 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@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7OInChIKey: YQDXYGOKFNYKCJ-RQBYSGHOSA-NInChI: See more
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Dactylorhin ECAS号: 256459-40-2分子式: C27H40O16 分子量: 620.6IUPAC Name: (3S)-5-methyl-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]hexanoic acidSMILES: CC(C)CC(CC(=O)O)(C(=O)OCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC3C(C(C(C(O3)CO)O)O)OInChIKey: ZGNUJHGCJSHIQU-JNGALJFKSA-NInChI: See more
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Hellebrigenin-3-O-β-glucosideCAS号: 72947-90-1 Compound CID : 3055779分子式: C30H42O11 分子量: 578.65IUPAC Name: See moreSMILES: CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5(C3(CCC(C5)OC6C(C(C(C(O6)CO)O)O)O)C=O)OInChIKey: AXUYMUBJXHVZEL-DBOUUHTQSA-NInChI: See more
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Hispidulin 7-葡萄糖醛酸苷CAS号: 31105-76-7分子式: C22H20O12 分子量: 476.39IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acidSMILES: COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)C(=O)O)O)O)OInChIKey: GVEZRDBRYNJUDQ-QSUZLTIMSA-NInChI: 1S/C22H20O12/c1-31-19-13(33-22-18(28)16(26)17(27)20(34-22)21(29)30)7-12-14(15(19)25)10(24)6-11(32-12)8-2-4-9(23)5-3-8/h2-7,16-18,20,22-23,25-28H,1H3,(H,29,30)/t16-,17-,18+,20-,22+/m0/s1
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Kaempferol 3-rutinoside 4′-glucosideCAS号: 89439-58-7分子式: C33H40O20 分子量: 756.66IUPAC Name: See moreSMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)OInChIKey: FYJOVKRHRUYSLY-QDSFYBSMSA-NInChI: See more
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Mussaendoside SCAS号: 165198-41-4分子量: 810.96SMILES: O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)O[C@@H](CC[C@]2(C3CC[C@@]4(C2CC=C5[C@]4(CC[C@@]6([C@]5([C@H]([C@@H](CC6)C)C)[H])C(O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)CO)=O)C(O)=O)C)C)C3(C)CInChIKey: LDCLXZSKVDYDBF-NCWMSNPISA-NInChI: See more
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NK-A 17E-233ICAS号: 115103-30-5分子式: C15H16O5 分子量: 276.28IUPAC Name: 3-(2-hydroxy-4-methoxy-6-methylphenoxy)-5-methylbenzene-1,2-diolSMILES: CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2C)OC)O)O)OInChIKey: JGXPRDVSWGDODG-UHFFFAOYSA-NInChI: 1S/C15H16O5/c1-8-4-11(16)14(18)13(5-8)20-15-9(2)6-10(19-3)7-12(15)17/h4-7,16-18H,1-3H3
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