Endogenous Metabolite
选项
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盐酸土霉素分子式: C22H24N2O9·HCl 分子量: 496.89IUPAC Name: (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochlorideSMILES: CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.ClInChIKey: SVDOODSCHVSYEK-IFLJXUKPSA-NInChI: InChI=1S/C22H24N2O9.ClH/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);1H/t12-,13-,14+,17+,21-,22+;/m1./s1
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柠檬酸, 一水分子式: C6H8O7·H2O 分子量: 210.14IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrateSMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O.OInChIKey: YASYEJJMZJALEJ-UHFFFAOYSA-NInChI: InChI=1S/C6H8O7.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2
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D -(+)-葡萄糖分子式: C6H12O6 分子量: 180.16IUPAC Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanalSMILES: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OInChIKey: GZCGUPFRVQAUEE-SLPGGIOYSA-NInChI: InChI=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
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L(+)棕榈酸抗坏血酸酯分子式: C22H38O7 分子量: 414.53IUPAC Name: [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoateSMILES: CCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)O)O)OInChIKey: QAQJMLQRFWZOBN-LAUBAEHRSA-NInChI: InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3/t17-,21+/m0/s1
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