小分子和化合物库
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8-羟基松脂醇-4'-O-β-D-吡喃葡萄糖苷CAS号: 102582-69-4 Compound CID : 21591950分子式: C26H32O12 分子量: 536.53IUPAC Name: (2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6S,6aR)-3a-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: COC1=C(C=CC(=C1)C2C3COC(C3(CO2)O)C4=CC(=C(C=C4)O)OC)OC5C(C(C(C(O5)CO)O)O)OInChIKey: GQLQVPZSTWXDBQ-ZOKOZUFBSA-NInChI: See more
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9-甲氧羰基癸-9-烯酸CAS号: 913690-67-2分子式: C12H20O4 分子量: 228.28IUPAC Name: 9-methoxycarbonyldec-9-enoic acidSMILES: COC(=O)C(=C)CCCCCCCC(=O)OInChIKey: ZUNJWEGRDSXKIO-UHFFFAOYSA-NInChI: 1S/C12H20O4/c1-10(12(15)16-2)8-6-4-3-5-7-9-11(13)14/h1,3-9H2,2H3,(H,13,14)
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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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