小分子和化合物库
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PanasenosideCAS号: 31512-06-8 Compound CID : 9986191分子式: C27H30O16 分子量: 610.52IUPAC Name: 3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)OInChIKey: LKZDFKLGDGSGEO-PABQPRPFSA-NInChI: See more
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5-(溴甲基)噻吩-2-羧酸甲酯CAS号: 108499-32-7分子式: C7H7BrO2S 分子量: 235.11IUPAC Name: methyl 5-(bromomethyl)thiophene-2-carboxylateSMILES: COC(=O)C1=CC=C(S1)CBrInChIKey: GFOPHLFSDVVYGB-UHFFFAOYSA-NInChI: 1S/C7H7BrO2S/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3H,4H2,1H3
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吴茱萸内酯CAS号: 1180-71-8分子式: C26H30O8 分子量: 470.51IUPAC Name: (1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trioneSMILES: CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)CInChIKey: KBDSLGBFQAGHBE-MSGMIQHVSA-NInChI: See more
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2,4-二氯-3,5-二甲基苯酚CAS号: 133-53-9分子式: C8H8Cl2O 分子量: 191.05IUPAC Name: 2,4-dichloro-3,5-dimethylphenolSMILES: CC1=CC(=C(C(=C1Cl)C)Cl)OInChIKey: IYOLBFFHPZOQGW-UHFFFAOYSA-NInChI: 1S/C8H8Cl2O/c1-4-3-6(11)8(10)5(2)7(4)9/h3,11H,1-2H3
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D-(+)-麦芽糖一水合物分子式: C12H22O11•H2O 分子量: 360.31IUPAC Name: (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal;hydrateSMILES: C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O.OInChIKey: HBDJFVFTHLOSDW-DNDLZOGFSA-NInChI: 1S/C12H22O11.H2O/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;/h1,4-12,14-21H,2-3H2;1H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+;/m0./s1
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24-Methylenecycloartan-3β-olCAS号: 1449-09-8分子式: C31H52O 分子量: 440.756IUPAC Name: (1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-olSMILES: CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)CInChIKey: BDHQMRXFDYJGII-UEBIAWITSA-NInChI: 1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1
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