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盐酸金霉素分子式: C22H23ClN2O8·HCL 分子量: 515.34IUPAC Name: (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochlorideSMILES: Cl.CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)OInChIKey: QYAPHLRPFNSDNH-MRFRVZCGSA-NInChI: InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15-,21-,22-;/m0./s1
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3-蒈烯CAS号 : 13466-78-9分子式: C10H16 分子量: 136.24IUPAC Name: 3,7,7-trimethylbicyclo[4.1.0]hept-3-eneSMILES: CC1=CCC2C(C1)C2(C)CInChIKey: BQOFWKZOCNGFEC-UHFFFAOYSA-NInChI: InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
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(+)-脱氢松香胺 [光学拆分剂]CAS号 : 1446-61-3分子式: C20H31N 分子量: 285.48IUPAC Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamineSMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)CInChIKey: JVVXZOOGOGPDRZ-SLFFLAALSA-NInChI: InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1
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N-(9-环丙基-1-氧代壬基)-N-羟基-β-丙氨酸CAS号 : 1453071-47-0 Compound CID : 71735843分子式: C15H27NO4 分子量: 285.38IUPAC Name: 3-[9-cyclopropylnonanoyl(hydroxy)amino]propanoic acidSMILES: C1CC1CCCCCCCCC(=O)N(CCC(=O)O)OInChIKey: NEHSERYKENINRH-UHFFFAOYSA-NInChI: InChI=1S/C15H27NO4/c17-14(16(20)12-11-15(18)19)8-6-4-2-1-3-5-7-13-9-10-13/h13,20H,1-12H2,(H,18,19)
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植醇分子式: C20H40O 分子量: 296.54IUPAC Name: (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-olSMILES: CC(C)CCCC(C)CCCC(C)CCCC(=CCO)CInChIKey: BOTWFXYSPFMFNR-PYDDKJGSSA-NInChI: InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1
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Gamma-glutamylcysteine TFACAS号 : 283159-88-6 Compound CID : 139035037分子式: C10H15F3N2O7S 分子量: 364.30IUPAC Name: (2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acidSMILES: C(CC(=O)NC(CS)C(=O)O)C(C(=O)O)N.C(=O)(C(F)(F)F)OInChIKey: WBAPFIMTGPKLNF-FHAQVOQBSA-NInChI: InChI=1S/C8H14N2O5S.C2HF3O2/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15;3-2(4,5)1(6)7/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15);(H,6,7)/t4-,5-;/m0./s1
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伊利西林CCAS号 : 22562-67-0 Compound CID : 24094116分子式: C23H31ClO4 分子量: 406.94IUPAC Name: 5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehydeSMILES: CC1CCC(=O)C(C1(C)CCC(=CCC2=C(C(=C(C(=C2O)Cl)C)C=O)O)C)CInChIKey: IJEHYEVNWOYGMS-WGUBEYSISA-NInChI: InChI=1S/C23H31ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,12,14,16,27-28H,7-11H2,1-5H3/b13-6+/t14-,16+,23+/m1/s1