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代谢酶/蛋白酶
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牛蒡子苷元CAS号: 7770-78-7分子式: C21H24O6 分子量: 372.41IUPAC Name: (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-oneSMILES: COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OCInChIKey: NQWVSMVXKMHKTF-JKSUJKDBSA-NInChI: 1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
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阿戈美拉汀CAS号: 138112-76-2分子式: C15H17NO2 分子量: 243.3IUPAC Name: N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamideSMILES: CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OCInChIKey: YJYPHIXNFHFHND-UHFFFAOYSA-NInChI: 1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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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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厚朴酚CAS号: 528-43-8分子式: C18H18O2 分子量: 266.33IUPAC Name: 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenolSMILES: C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)OInChIKey: VVOAZFWZEDHOOU-UHFFFAOYSA-NInChI: 1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
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皂黄分子式: C18H14N3NaO3S 分子量: 375.38IUPAC Name: sodium;3-[(4-anilinophenyl)diazenyl]benzenesulfonateSMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]InChIKey: NYGZLYXAPMMJTE-UHFFFAOYSA-MInChI: 1S/C18H15N3O3S.Na/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14;/h1-13,19H,(H,22,23,24);/q;+1/p-1
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美他沙酮分子式: C12H15NO3 分子量: 221.25IUPAC Name: 5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-oneSMILES: CC1=CC(=CC(=C1)OCC2CNC(=O)O2)CInChIKey: IMWZZHHPURKASS-UHFFFAOYSA-NInChI: 1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)
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2-甲基马尿酸CAS号: 42013-20-7分子式: C10H11NO3 分子量: 193.2IUPAC Name: 2-[(2-methylbenzoyl)amino]acetic acidSMILES: CC1=CC=CC=C1C(=O)NCC(=O)OInChIKey: YOEBAVRJHRCKRE-UHFFFAOYSA-NInChI: 1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
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