小分子和化合物库
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柠檬酸钠,二水分子式: C6H5Na3O7·2H2O 分子量: 294.10IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrateSMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+]InChIKey: NLJMYIDDQXHKNR-UHFFFAOYSA-KInChI: 1S/C6H8O7.3Na.2H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;2*1H2/q;3*+1;;/p-3
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桂酸桂酯分子式: C6H5CH=CHCO2CH2CH=CHC6H5 分子量: 264.32IUPAC Name: [(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoateSMILES: C1=CC=C(C=C1)C=CCOC(=O)C=CC2=CC=CC=C2InChIKey: NQBWNECTZUOWID-MZXMXVKLSA-NInChI: 1S/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2/b12-7+,14-13+
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枞酸乙酯CAS号: 631-71-0分子式: C22H34O2 分子量: 330.51IUPAC Name: ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylateSMILES: CCOC(=O)C1(CCCC2(C1CC=C3C2CCC(=C3)C(C)C)C)CInChIKey: AGUBCDYYAKENKG-YVNJGZBMSA-NInChI: 1S/C22H34O2/c1-6-24-20(23)22(5)13-7-12-21(4)18-10-8-16(15(2)3)14-17(18)9-11-19(21)22/h9,14-15,18-19H,6-8,10-13H2,1-5H3/t18-,19+,21+,22+/m0/s1
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甲基紫罗兰酮(α,β-位的混合物,α-正为主)CAS号: 7779-30-8分子式: C14H22O 分子量: 206.33IUPAC Name: (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-oneSMILES: CCC(=O)C=CC1C(=CCCC1(C)C)CInChIKey: VPKMGDRERYMTJX-CMDGGOBGSA-NInChI: 1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+
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(+)-抗坏血酸钠 L分子式: C6H7NaO6 分子量: 198.11IUPAC Name: sodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olateSMILES: [Na+].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-]InChIKey: PPASLZSBLFJQEF-RXSVEWSESA-MInChI: 1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1
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脱氧胆酸钠 一水合物分子式: C24H39NaO4 · H2O 分子量: 432.57IUPAC Name: sodium;(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrateSMILES: CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.O.[Na+]InChIKey: NDVHNZISGVSFMP-WTCAICSISA-MInChI: See more
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