小分子和化合物库
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原卟啉IX二钠盐CAS号: 50865-01-5 Compound CID : 71484分子式: C34H32N4Na2O4 分子量: 606.63IUPAC Name: disodium;3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoateSMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)[O-])C)C(=C3C)CCC(=O)[O-])C=C.[Na+].[Na+]InChIKey: GPRXGEKBQVXWAQ-UHFFFAOYSA-LInChI: See more
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6-姜烯酚分子式: C17H24O3 分子量: 276.37IUPAC Name: (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-oneSMILES: CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OCInChIKey: OQWKEEOHDMUXEO-BQYQJAHWSA-NInChI: 1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+
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尼柯霉素ZCAS号: 59456-70-1分子式: C20H25N5O10 分子量: 495.44IUPAC Name: (2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acidSMILES: CC(C(C1=NC=C(C=C1)O)O)C(C(=O)NC(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)NInChIKey: WWJFFVUVFNBJTN-VHDFTHOZSA-NInChI: See more
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来自短芽孢杆菌的短杆菌肽CCAS号: 9062-61-7SMILES: CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)[C@@H](Cc5ccccc5)NC1=O)C(C)C)C(C)C
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柠檬苦素CAS号: 1180-71-8分子式: C26H30O8 分子量: 470.51IUPAC Name: (1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trioneSMILES: CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)CInChIKey: KBDSLGBFQAGHBE-MSGMIQHVSA-NInChI: See more
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柠檬酸-¹³C₆CAS号: 287389-42-8分子式: HO13C(13CO2H)(13CH213CO2H)2 分子量: 198.08IUPAC Name: 2-hydroxy(1,2,3-13C3)propane-1,2,3-tricarboxylic acidSMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)OInChIKey: KRKNYBCHXYNGOX-IDEBNGHGSA-NInChI: 1S/C6H8O7/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)/i1+1,2+1,3+1,4+1,5+1,6+1
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甲酰胺-¹³CCAS号: 51284-91-4分子式: 13CH3NO 分子量: 46.03IUPAC Name: aminoformaldehydeSMILES: C(=O)NInChIKey: ZHNUHDYFZUAESO-OUBTZVSYSA-NInChI: 1S/CH3NO/c2-1-3/h1H,(H2,2,3)/i1+1
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雌三醇-2,3,4-¹³C₃CAS号: 1255639-56-5分子式: C18H24O3 分子量: 291.36IUPAC Name: (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triolSMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OInChIKey: PROQIPRRNZUXQM-FDFADMNFSA-NInChI: 1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1/i3+1,8+1,11+1
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DL-苯丙氨酸-2-13CCAS号: 64193-01-7分子式: C6H5CH213CH(NH2)CO2H 分子量: 166.18IUPAC Name: phenyl (2S)-2-amino(213C)propanoateSMILES: CC(C(=O)OC1=CC=CC=C1)NInChIKey: HCRMTRJXSDDOIK-DYQYKUGJSA-NInChI: 1S/C9H11NO2/c1-7(10)9(11)12-8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m0/s1/i7+1
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