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代谢酶/蛋白酶
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D-葡萄糖-¹³C₆,1,2,3,4,5,6,6-d₇CAS号: 201417-01-8分子式: 13C6H5D7O6 分子量: 193.15IUPAC Name: (2R,3S,4R,5R)-1,2,3,4,5,6,6-heptadeuterio-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexan-1-oneSMILES: C(C(C(C(C(C=O)O)O)O)O)OInChIKey: GZCGUPFRVQAUEE-VVZLUFAVSA-NInChI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1D,2+1D2,3+1D,4+1D,5+1D,6+1D
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1-甲氧基菜豆素CAS号: 65428-13-9分子式: C21H22O5 分子量: 354.396SMILES: CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C(=CC(=C4)O)OC)O)CInChIKey: YKTZRMXYANFKQR-YCRPNKLZSA-NInChI: 1S/C21H22O5/c1-11(2)4-5-14-16(23)7-6-13-15-10-25-18-9-12(22)8-17(24-3)19(18)21(15)26-20(13)14/h4,6-9,15,21-23H,5,10H2,1-3H3/t15-,21+/m0/s1
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N-乙酰基神经鞘氨醇分子式: C20H39NO3 分子量: 341.53IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]acetamideSMILES: CCCCCCCCCCCCCC=CC(C(CO)NC(=O)C)OInChIKey: BLTCBVOJNNKFKC-QUDYQQOWSA-NInChI: 1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20+/m0/s1
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脱氧基新隐丹参酮CAS号: 27468-20-8 Compound CID : 15690458IUPAC Name: 1-hydroxy-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dioneSMILES: CC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)OInChIKey: UPLOJIODCUTBOZ-UHFFFAOYSA-NInChI: 1S/C19H22O3/c1-10(2)14-16(20)12-7-8-13-11(6-5-9-19(13,3)4)15(12)18(22)17(14)21/h7-8,10,20H,5-6,9H2,1-4H3
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7-O-甲基汉黄芩素分子式: C17H14O5 分子量: 298.29IUPAC Name: 5-hydroxy-7,8-dimethoxy-2-phenylchromen-4-oneSMILES: COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3)OCInChIKey: IHLSBQVBFDTNTC-UHFFFAOYSA-NInChI: 1S/C17H14O5/c1-20-14-9-12(19)15-11(18)8-13(10-6-4-3-5-7-10)22-17(15)16(14)21-2/h3-9,19H,1-2H3
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双十八烷基胺分子式: [CH3(CH2)17]2NH 分子量: 521.99IUPAC Name: N-octadecyloctadecan-1-amineSMILES: CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCCInChIKey: HKUFIYBZNQSHQS-UHFFFAOYSA-NInChI: 1S/C36H75N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3
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辛酰- L -肉碱CAS号: 25243-95-2分子式: C15H29NO4 分子量: 287.4SMILES: CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)CInChIKey: CXTATJFJDMJMIY-CYBMUJFWSA-NInChI: 1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1
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乳胞素CAS号: 133343-34-7 Compound CID : 6610292分子式: C15H24N2O7S 分子量: 376.425IUPAC Name: (2R)-2-acetamido-3-[(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbonyl]sulfanylpropanoic acidSMILES: CC1C(C(NC1=O)(C(C(C)C)O)C(=O)SCC(C(=O)O)NC(=O)C)OInChIKey: DAQAKHDKYAWHCG-RWTHQLGUSA-NInChI: 1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9+,10+,11+,15-/m1/s1
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鼠李素分子式: C16H12O7 分子量: 316.26IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxychromen-4-oneSMILES: COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)OInChIKey: JGUZGNYPMHHYRK-UHFFFAOYSA-NInChI: 1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
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