小分子和化合物库
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甘油单油酸酯CAS号: 25496-72-4分子式: C21H40O4 分子量: 356.54IUPAC Name: 2,3-dihydroxypropyl (Z)-octadec-9-enoateSMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OInChIKey: RZRNAYUHWVFMIP-KTKRTIGZSA-NInChI: 1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
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8-溴腺苷5'-三磷酸钠盐CAS号: 81035-56-5 Compound CID : 90477395分子式: C10H15BrN5O13P3•x(Na) 分子量: 586.08 (free)IUPAC Name: sodium;[[[(2R,3S,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphateSMILES: C1=NC(=C2C(=N1)N(C(=N2)Br)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)[O-])O)O)N.[Na+]InChIKey: CDLMOHDSMLZBCO-GWTDSMLYSA-MInChI: See more
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反式-β-金合欢烯分子式: C15H24 分子量: 204.35IUPAC Name: (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-trieneSMILES: CC(=CCCC(=CCCC(=C)C=C)C)CInChIKey: JSNRRGGBADWTMC-NTCAYCPXSA-NInChI: 1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+
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亮肽素 三氟乙酸盐CAS号: 147385-61-3 Compound CID : 44120072分子式: C20H38N6O4·xC2HF3O2 分子量: 426.55 (free base basis)IUPAC Name: (2S)-2-acetamido-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide;2,2,2-trifluoroacetic acidSMILES: CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C.C(=O)(C(F)(F)F)OInChIKey: WUHGBZVQELGOMH-FRKSIBALSA-NInChI: See more
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十六烷二酸单左旋肉碱酯氯化物CAS号: 42150-38-9 Compound CID : 44256593分子式: C23H44ClNO6 分子量: 466.05IUPAC Name: (3R)-3-(15-carboxypentadecanoyloxy)-4-(trimethylazaniumyl)butanoateSMILES: C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCCCCCCCCCCCC(=O)OInChIKey: UNHCPLSWMNPZTD-HXUWFJFHSA-NInChI: 1S/C23H43NO6/c1-24(2,3)19-20(18-22(27)28)30-23(29)17-15-13-11-9-7-5-4-6-8-10-12-14-16-21(25)26/h20H,4-19H2,1-3H3,(H-,25,26,27,28)/t20-/m1/s1
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愈创木烯分子式: C15H24 分子量: 204.35IUPAC Name: (1S,4S)-1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azuleneSMILES: CC1CCC(=C(C)C)CC2=C1CCC2CInChIKey: GIBQERSGRNPMEH-RYUDHWBXSA-NInChI: 1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3/t11-,12-/m0/s1
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辣椒红素分子式: C40H56O4 分子量: 600.87IUPAC Name: (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1,20-bis[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dioneSMILES: CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C1(CC(CC1(C)C)O)C)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)CInChIKey: GVOIABOMXKDDGU-YUURSNASSA-NInChI: See more
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1H,1H,13H-全氟叔丁基-1-醇CAS号: 423-72-3分子式: C13H4F24O 分子量: 632.14IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecan-1-olSMILES: C(C(C(C(C(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OInChIKey: LNNWSUTUIVJKDJ-UHFFFAOYSA-NInChI: 1S/C13H4F24O/c14-2(15)4(18,19)6(22,23)8(26,27)10(30,31)12(34,35)13(36,37)11(32,33)9(28,29)7(24,25)5(20,21)3(16,17)1-38/h2,38H,1H2
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