小分子和化合物库
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土木香内酯CAS号: 546-43-0分子式: C15H20O2 分子量: 232.32IUPAC Name: (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-oneSMILES: CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)CInChIKey: PXOYOCNNSUAQNS-AGNJHWRGSA-NInChI: 1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1
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药根碱CAS号: 3621-38-3分子式: C20H21NO5 分子量: 355.38IUPAC Name: 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-olSMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OCInChIKey: MXTLAHSTUOXGQF-UHFFFAOYSA-OInChI: 1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1
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三唑磷分子式: C12H16N3O3PS 分子量: 313.31IUPAC Name: diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidene-λ5-phosphaneSMILES: CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2InChIKey: AMFGTOFWMRQMEM-UHFFFAOYSA-NInChI: 1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
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硫酸长春碱分子式: C46H58N4O9·H2SO4 分子量: 909.05IUPAC Name: See moreSMILES: CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)OInChIKey: KDQAABAKXDWYSZ-JKDPCDLQSA-NInChI: See more
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梓醇分子式: C15H22O10 分子量: 362.33IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)OInChIKey: LHDWRKICQLTVDL-PZYDOOQISA-NInChI: 1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1
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