小分子和化合物库
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4-[2-(4-烯丙基-2,6-二甲氧基苯氧基)-1-羟丙基]-2-甲氧基苯酚CAS号: 52190-21-3分子式: C21H26O6 分子量: 374.43IUPAC Name: 4-[2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-hydroxypropyl]-2-methoxyphenolSMILES: CC(C(C1=CC(=C(C=C1)O)OC)O)OC2=C(C=C(C=C2OC)CC=C)OCInChIKey: ULZFTGWWPHYLGI-UHFFFAOYSA-NInChI: 1S/C21H26O6/c1-6-7-14-10-18(25-4)21(19(11-14)26-5)27-13(2)20(23)15-8-9-16(22)17(12-15)24-3/h6,8-13,20,22-23H,1,7H2,2-5H3
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5-羧基豆苷CAS号: 34371-11-4分子式: C28H34N2O11 分子量: 574.58IUPAC Name: See moreSMILES: COC(=O)C1=COC(C(C1CC2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)C=C)OC5C(C(C(C(O5)CO)O)O)OInChIKey: LHKZIVMTXZLOTP-ZCCQUAMYSA-NInChI: See more
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6'-(对羟基苯甲酰基)mussaenosi二c acidCAS号: 87667-61-6 Compound CID : 133554308分子式: C23H28O12 分子量: 496.46IUPAC Name: (1R,4aR,7R,7aR)-7-hydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acidSMILES: CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)OInChIKey: IUXOFSAPFXGQID-FWYFFURISA-NInChI: See more
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8-O-4-羟基肉桂酰哈帕格特CAS号: 133645-37-1 Compound CID : 133053422分子式: C24H30O12 分子量: 510.49IUPAC Name: [(4aS,5R,7S)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoateSMILES: CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC=C(C=C4)OInChIKey: AZKQDXZMKREFDY-KZAOYDMLSA-NInChI: See more
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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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