小分子和化合物库
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己烯雌酚标准物质分子式: C18H20O2 分子量: 268.35IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenolSMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)OInChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-NInChI: InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
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松香酸分子式: C20H30O2 分子量: 302.45IUPAC Name: (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acidSMILES: CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)CInChIKey: RSWGJHLUYNHPMX-ONCXSQPRSA-NInChI: InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
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季戊四醇三烯丙基醚分子式: C14H24O4 分子量: 256.34IUPAC Name: 3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-olSMILES: C=CCOCC(CO)(COCC=C)COCC=CInChIKey: FYRWKWGEFZTOQI-UHFFFAOYSA-NInChI: InChI=1S/C14H24O4/c1-4-7-16-11-14(10-15,12-17-8-5-2)13-18-9-6-3/h4-6,15H,1-3,7-13H2
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Cytostatin,PP2A抑制剂CAS号 : 156856-30-3 Compound CID : 6326740分子式: C21H32NaO7P 分子量: 450.44IUPAC Name: [(8E,10E,12E)-7-hydroxy-6-methyl-2-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)tetradeca-8,10,12-trien-5-yl] dihydrogen phosphateSMILES: CC=CC=CC=CC(C(C)C(CCC(C)C1C(C=CC(=O)O1)C)OP(=O)(O)O)OInChIKey: PQNNIEWMPIULRS-SUTYWZMXSA-NInChI: InChI=1S/C21H33O7P/c1-5-6-7-8-9-10-18(22)17(4)19(28-29(24,25)26)13-11-15(2)21-16(3)12-14-20(23)27-21/h5-10,12,14-19,21-22H,11,13H2,1-4H3,(H2,24,25,26)/b6-5+,8-7+,10-9+
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Cyanine3 NHS酯CAS号 : 2632339-91-2 Compound CID : 91757880分子式: C34H40N3BF4O4 分子量: 641.5IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-[(2E)-3,3-dimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]hexanoate;tetrafluoroborateSMILES: [B-](F)(F)(F)F.CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)ON5C(=O)CCC5=O)(C)C)C)CInChIKey: IKCZEWWKZQLLCC-UHFFFAOYSA-NInChI: InChI=1S/C34H40N3O4.BF4/c1-33(2)24-14-8-10-16-26(24)35(5)28(33)18-13-19-29-34(3,4)25-15-9-11-17-27(25)36(29)23-12-6-7-20-32(40)41-37-30(38)21-22-31(37)39;2-1(3,4)5/h8-11,13-19H,6-7,12,20-23H2,1-5H3;/q+1;-1
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吖啶橙分子式: C17H19N3 分子量: 265.35IUPAC Name: 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamineSMILES: CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)CInChIKey: DPKHZNPWBDQZCN-UHFFFAOYSA-NInChI: InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3
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5-磷酰核糖-1-焦磷酸钠盐CAS号 : 108321-05-7 Compound CID : 92043170分子式: C5H8Na5O14P3 分子量: 499.98IUPAC Name: tetrasodium;[[(3R,4S,5R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphoryl]oxymethyl]oxolan-2-yl]oxy-oxidophosphoryl] phosphateSMILES: C(C1C(C(C(O1)OP(=O)([O-])OP(=O)([O-])[O-])O)O)OP(=O)(O)[O-].[Na+].[Na+].[Na+].[Na+]InChIKey: QZAPPJHVNYCTAX-CKJQBBATSA-JInChI: InChI=1S/C5H13O14P3.4Na/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13;;;;/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13);;;;/q;4*+1/p-4/t2-,3-,4-,5?;;;;/m1..../s1
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β-谷甾醇分子式: C29H50O 分子量: 414.71IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)CInChIKey: KZJWDPNRJALLNS-VJSFXXLFSA-NInChI: InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
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