小分子和化合物库
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3-O-去甲基磺草胺CAS号: 57459-06-0分子式: C16H14O7 分子量: 318.28IUPAC Name: methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dihydroxybenzoateSMILES: CC1=CC(=C(C(=C1)O)C(=O)C2=C(C=C(C=C2O)O)C(=O)OC)OInChIKey: GIJDACMRFIMBET-UHFFFAOYSA-NInChI: 1S/C16H14O7/c1-7-3-10(18)14(11(19)4-7)15(21)13-9(16(22)23-2)5-8(17)6-12(13)20/h3-6,17-20H,1-2H3
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4-(3,4-二羟基苯基)-7-甲氧基-5-[(6-O-β-D-氧吡喃基-β-D-吡喃葡萄糖基)氧基]-2H-1-苯并吡喃-2-酮CAS号: 116310-59-9 Compound CID : 14134097分子式: C27H30O15 分子量: 594.52IUPAC Name: 4-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-oneSMILES: COC1=CC2=C(C(=CC(=O)O2)C3=CC(=C(C=C3)O)O)C(=C1)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)OInChIKey: GXDJGKMWLJOJFR-WUSKNVGPSA-NInChI: See more
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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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![4-(3,4-二羟基苯基)-7-甲氧基-5-[(6-O-β-D-氧吡喃基-β-D-吡喃葡萄糖基)氧基]-2H-1-苯并吡喃-2-酮](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/D/4/D463777_1.png)
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