化学生物学
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七叶苷 倍半水合物CAS号 : 66778-17-4 Compound CID : 16211025分子式: C15H16O9 · 1.5H2O 分子量: 367.31IUPAC Name: 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;hydrateSMILES: C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O.OInChIKey: CQYPGSKIFJFVDQ-QWFKVUSTSA-NInChI: InChI=1S/C15H16O9.H2O/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;/h1-4,10,12-17,19-21H,5H2;1H2/t10-,12-,13+,14-,15-;/m1./s1
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(1R,4R,8R)-5-苄基-2-异丁基-8-甲氧基-1,8-二甲基双环[ 2.2.2]八-2,5-二烯CAS号 : 948594-95-4 Compound CID : 16218225分子式: C22H30O 分子量: 310.47IUPAC Name: (1R,4R,8R)-5-benzyl-8-methoxy-1,8-dimethyl-2-(2-methylpropyl)bicyclo[2.2.2]octa-2,5-dieneSMILES: CC(C)CC1=CC2C(=CC1(CC2(C)OC)C)CC3=CC=CC=C3InChIKey: ACWLDJOHMGJACE-BHIFYINESA-NInChI: InChI=1S/C22H30O/c1-16(2)11-19-13-20-18(12-17-9-7-6-8-10-17)14-21(19,3)15-22(20,4)23-5/h6-10,13-14,16,20H,11-12,15H2,1-5H3/t20-,21+,22-/m1/s1
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(1R,8S,9s)-双环[6.1.0]non-4-炔-9-基甲醇CAS号 : 1263166-90-0 Compound CID : 53380994分子式: C10H14O 分子量: 150.22IUPAC Name: [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methanolSMILES: C1CC2C(C2CO)CCC#C1InChIKey: NSVXZMGWYBICRW-ULKQDVFKSA-NInChI: InChI=1S/C10H14O/c11-7-10-8-5-3-1-2-4-6-9(8)10/h8-11H,3-7H2/t8-,9+,10?
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(1S,4S,8S)-5-苄基-2-异丁基-8-甲氧基-1,8-二甲基双环[ 2.2.2]八-2,5-二烯CAS号 : 862499-50-1 Compound CID : 12173574分子式: C22H30O 分子量: 310.47IUPAC Name: (1S,4S,8S)-5-benzyl-8-methoxy-1,8-dimethyl-2-(2-methylpropyl)bicyclo[2.2.2]octa-2,5-dieneSMILES: CC(C)CC1=CC2C(=CC1(CC2(C)OC)C)CC3=CC=CC=C3InChIKey: ACWLDJOHMGJACE-BDTNDASRSA-NInChI: InChI=1S/C22H30O/c1-16(2)11-19-13-20-18(12-17-9-7-6-8-10-17)14-21(19,3)15-22(20,4)23-5/h6-10,13-14,16,20H,11-12,15H2,1-5H3/t20-,21+,22-/m0/s1
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(3-羟基苯基)(4-(丙-2-炔-1-丙氧基)苯基)甲酮CAS号 : 2140866-78-8 Compound CID : 129316441分子式: C16H12O3 分子量: 252.26IUPAC Name: (3-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanoneSMILES: C#CCOC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)OInChIKey: VFOLJQQPSARQOV-UHFFFAOYSA-NInChI: InChI=1S/C16H12O3/c1-2-10-19-15-8-6-12(7-9-15)16(18)13-4-3-5-14(17)11-13/h1,3-9,11,17H,10H2
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(4-(1,2,4,5-四嗪-3-基)苯基)甲胺盐酸盐CAS号 : 1345866-68-3 Compound CID : 58490200分子式: C9H9N5 分子量: 187.2IUPAC Name: [4-(1,2,4,5-tetrazin-3-yl)phenyl]methanamineSMILES: C1=CC(=CC=C1CN)C2=NN=CN=N2InChIKey: JGCOJRPYFRRONJ-UHFFFAOYSA-NInChI: InChI=1S/C9H9N5/c10-5-7-1-3-8(4-2-7)9-13-11-6-12-14-9/h1-4,6H,5,10H2
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(4-(2-(2-氨基乙氧基)乙氧基)苯基)(4-(丙-2-炔-1-丙氧基)苯基)甲酮CAS号 : 1632401-22-9 Compound CID : 131801551分子式: C20H21NO4 分子量: 339.39IUPAC Name: [4-[2-(2-aminoethoxy)ethoxy]phenyl]-(4-prop-2-ynoxyphenyl)methanoneSMILES: C#CCOC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCOCCNInChIKey: KXFOOVXWBVYUIH-UHFFFAOYSA-NInChI: InChI=1S/C20H21NO4/c1-2-12-24-18-7-3-16(4-8-18)20(22)17-5-9-19(10-6-17)25-15-14-23-13-11-21/h1,3-10H,11-15,21H2
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(4-(溴甲基)苯基)(4-(丙基-2-炔基-1-氧基)苯基)甲酮CAS号 : 1695554-80-3 Compound CID : 117994651分子式: C17H13BrO2 分子量: 329.19IUPAC Name: [4-(bromomethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanoneSMILES: C#CCOC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CBrInChIKey: WZAMAERFZALJSY-UHFFFAOYSA-NInChI: InChI=1S/C17H13BrO2/c1-2-11-20-16-9-7-15(8-10-16)17(19)14-5-3-13(12-18)4-6-14/h1,3-10H,11-12H2
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(4-(羟甲基)苯基)(4-(丙-2-炔-1-丙氧基)苯基)甲酮CAS号 : 1940176-39-5 Compound CID : 131801555分子式: C17H14O3 分子量: 266.29IUPAC Name: [4-(hydroxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanoneSMILES: C#CCOC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)COInChIKey: YAUDONHQCYEKJS-UHFFFAOYSA-NInChI: InChI=1S/C17H14O3/c1-2-11-20-16-9-7-15(8-10-16)17(19)14-5-3-13(12-18)4-6-14/h1,3-10,18H,11-12H2
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(4-羟基苯基)(4-(丙-2-炔-1-基氧基)苯基)甲酮CAS号 : 1208395-99-6 Compound CID : 46229706分子式: C39H25N5 分子量: 252.26IUPAC Name: (4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanoneSMILES: C#CCOC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OInChIKey: TZKIHDJSIXVMIQ-UHFFFAOYSA-NInChI: InChI=1S/C16H12O3/c1-2-11-19-15-9-5-13(6-10-15)16(18)12-3-7-14(17)8-4-12/h1,3-10,17H,11H2
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(E)-环辛-4-烯醇CAS号 : 85081-69-2 Compound CID : 5381510分子式: C8H14O 分子量: 126.2IUPAC Name: (4Z)-cyclooct-4-en-1-olSMILES: C1CC=CCCC(C1)OInChIKey: UCPDHOTYYDHPEN-UPHRSURJSA-NInChI: InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-2,8-9H,3-7H2/b2-1-