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Carbohydrates
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3,4-O-Isopropylidene-D-mannitolCas Number: 3969-84-4Formula: C9H18O6 Molecular Weight: 222.24IUPAC Name: (1R)-1-[(4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diolSMILES: CC1(OC(C(O1)C(CO)O)C(CO)O)CInChIKey: YCOMFYACDCWMMD-WCTZXXKLSA-NInChI: InChI=1S/C9H18O6/c1-9(2)14-7(5(12)3-10)8(15-9)6(13)4-11/h5-8,10-13H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
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Rebaudioside ACas Number: 58543-16-1 Compound CID: 6918840Formula: C44H70O23 Molecular Weight: 967.01IUPAC Name: show moreSMILES: CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)(C)C(=O)OC8C(C(C(C(O8)CO)O)O)OInChIKey: HELXLJCILKEWJH-NCGAPWICSA-NInChI: show moreSynonyms: DTXSID8047898 | B3FUD0528F | 1-O-(13alpha-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucop...
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D-GlucalCas Number: 13265-84-4 EC Number: 236-259-3Formula: C6H10O4 Molecular Weight: 146.14IUPAC Name: (2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diolSMILES: C1=COC(C(C1O)O)COInChIKey: YVECGMZCTULTIS-PBXRRBTRSA-NInChI: InChI=1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6+/m1/s1Synonyms: rel-(2R,3S,4R)-2-(Hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol | D-(+)-Glucal | Glucal | D-arabino-Hex-1-enitol, 1,5-...
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Di-tert-butyl dicarbonateCas Number: 24424-99-5 EC Number: 246-240-1Formula: C10H18O5 Molecular Weight: 218.25IUPAC Name: tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonateSMILES: CC(C)(C)OC(=O)OC(=O)OC(C)(C)CInChIKey: DYHSDKLCOJIUFX-UHFFFAOYSA-NInChI: InChI=1S/C10H18O5/c1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h1-6H3Synonyms: di-t-butyldicarbonate | di-t-butyl-dicarbonate | Di-tert-butyl dicarbonate 2.0M in THF | (di-tert-butyl)dicarbonate |...
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MaltotrioseCas Number: 1109-28-0 EC Number: 214-174-2Formula: C18H32O16 Molecular Weight: 504.44IUPAC Name: show moreSMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)OInChIKey: FYGDTMLNYKFZSV-DZOUCCHMSA-NInChI: show moreSynonyms: A-D-glucopyranosyl-(1 inverted exclamation marku4)-D-glucopyranose | DTXSID801157137 | J-506653 | alpha-D-glucopyrano...
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Benzyl chloroformateCas Number: 501-53-1 EC Number: 207-925-0Formula: ClCO2CH2C6H5 Molecular Weight: 170.59IUPAC Name: benzyl carbonochloridateSMILES: C1=CC=C(C=C1)COC(=O)ClInChIKey: HSDAJNMJOMSNEV-UHFFFAOYSA-NInChI: InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2Synonyms: Carbobenzoxy chloride | Cbz chloride | Chloroformic Acid Benzyl Ester | Benzyl chlorocarbonate | Benzyloxycarbonyl ch...
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IcariinCas Number: 489-32-7 Compound CID: 5318997Formula: C33H40O15 Molecular Weight: 676.66IUPAC Name: show moreSMILES: COc1ccc(cc1)C2=C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C(=O)c4c(O)cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(C\C=C(\C)C)c4O2InChIKey: TZJALUIVHRYQQB-XLRXWWTNSA-NInChI: show moreSynonyms: 3-((6-Deoxymannopyranosyl)oxy)-7-(glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzop...
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N-Trifluoroacetyl-D-glucosamineCas Number: 36875-26-0 Compound CID: 375934487Formula: C8H12F3NO6 Molecular Weight: 275.18Synonyms: ['2-Deoxy-2-trifluoroacetamido-', 'D', '-glucopyranose'] | 2-Deoxy-2-trifluoroacetamido-D-glucopyranose
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2,3,4,6-Tetraacetyl-D-glucoseCas Number: 10343-06-3 Compound CID: 11824227Formula: C14H20O10 Molecular Weight: 348.3IUPAC Name: [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetateSMILES: CC(=O)OCC1C(C(C(C(O1)O)OC(=O)C)OC(=O)C)OC(=O)CInChIKey: IEOLRPPTIGNUNP-RQICVUQASA-NInChI: InChI=1S/C14H20O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11-,12+,13-,14?/m1/s1Synonyms: 2,3,4,6-Tetra-O-acetyl-D-glucopyranose
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1,2,3,4-Tetra-O-acetyl-β-D-glucopyranoseCas Number: 13100-46-4 Compound CID: 83136Formula: C14H20O10 Molecular Weight: 348.31IUPAC Name: [(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(hydroxymethyl)oxan-3-yl] acetateSMILES: CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC(=O)C)COInChIKey: FEQXFAYSNRWXDW-RKQHYHRCSA-NInChI: InChI=1S/C14H20O10/c1-6(16)20-11-10(5-15)24-14(23-9(4)19)13(22-8(3)18)12(11)21-7(2)17/h10-15H,5H2,1-4H3/t10-,11-,12+,13-,14-/m1/s1Synonyms: 13100-46-4|1,2,3,4-Tetra-O-acetyl-beta-D-glucopyranose|beta-d-glucose-2,3,4,5-tetraacetate|beta-D-Glucopyranose, 1,2,...
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NeodiosminCas Number: 38665-01-9 Compound CID: 69964214Formula: C28H32O15 Molecular Weight: 608.54IUPAC Name: show moreSMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)OInChIKey: VCCNKWWXYVWTLT-CYZBKYQRSA-NInChI: show moreSynonyms: DTXSID80741565 | Q63395368 | CCG-270215 | 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4...
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2,3,4,6-Tetra-O-benzyl-D-glucopyranosyl FluorideCas Number: 122741-44-0 Compound CID: 10951670Formula: C34H35FO5 Molecular Weight: 542.65IUPAC Name: (3R,4S,5R,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxaneSMILES: C1=CC=C(C=C1)COCC2C(C(C(C(O2)F)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5InChIKey: QNXIKNZDQVSBCO-BKJHVTENSA-NInChI: show moreSynonyms: CS-0214498 | (2R,3R,4S,5R)-3,4,5-TRIS(BENZYLOXY)-2-[(BENZYLOXY)METHYL]-6-FLUOROOXANE | AKOS037646847 | DTXSID40449454...
