Reference Materials
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Tetrachloro-1,4-benzoquinoneCas#: 118-75-2 Compound CID: 8371Formula: C6Cl4O2 Molecular Weight: 245.88IUPAC Name: 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dioneSMILES: C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)ClInChIKey: UGNWTBMOAKPKBL-UHFFFAOYSA-NInChI: InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11Synonyms: 2,3,5,6-Tetrachloro-p-benzoquinone | DivK1c_006946 | EN300-18125 | Spectrum5_001386 | Spergon | 2,5,6-Tetrachloroquin...
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FisetinCas#: 528-48-3 Compound CID: 5281614Formula: C15H10O6 Molecular Weight: 286.24IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-oneSMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)OInChIKey: XHEFDIBZLJXQHF-UHFFFAOYSA-NInChI: InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20HSynonyms: 3,4',7-Tetrahydroxyflavone | 7,3',4'-Trihydroxyflavonol | HY-N0182 | MFCD00006829 | NCGC00095663-01 | 5-Deoxyquerceti...
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Apigenin, Activator of CFTRCas#: 520-36-5 Compound CID: 5280443Formula: C15H10O5 Molecular Weight: 270.24IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18HSynonyms: Chamomile | Apigenine | Versulin | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one | 5,7-dihydroxy-2-(4-hydroxyphe...
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GalanginCas#: 548-83-4Formula: C15H10O5 Molecular Weight: 270.24IUPAC Name: 3,5,7-trihydroxy-2-phenylchromen-4-oneSMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: VCCRNZQBSJXYJD-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19HSynonyms: Norizalpinin | 3,5,7-Trihydroxyflavone | 3,5,7-Trihydroxy-2-phenyl-4H-chromen-4-one
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MagnolinCas#: 31008-18-1 Compound CID: 169234Formula: C23H28O7 Molecular Weight: 416.46IUPAC Name: (3S,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furanSMILES: COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OC)OCInChIKey: MFIHSKBTNZNJIK-RZTYQLBFSA-NInChI: InChI=1S/C23H28O7/c1-24-17-7-6-13(8-18(17)25-2)21-15-11-30-22(16(15)12-29-21)14-9-19(26-3)23(28-5)20(10-14)27-4/h6-10,15-16,21-22H,11-12H2,1-5H3/t15-,16-,21+,22+/m0/s1Synonyms: UNII-95DA2NWV8P | (1S,3AR,4S,6AR)-1-(3,4-DIMETHOXYPHENYL)-4-(3,4,5-TRIMETHOXYPHENYL)-HEXAHYDROFURO(3,4-C)FURAN | Polo...
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MyricetinCas#: 529-44-2 Compound CID: 5281672Formula: C15H10O8 Molecular Weight: 318.24IUPAC Name: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-oneSMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: IKMDFBPHZNJCSN-UHFFFAOYSA-NInChI: InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22HSynonyms: BIDD:PXR0079 | NCGC00015697-01 | NCGC00179517-01 | FLAVONE, 3,3',4',5,5',7-HEXAHYDROXY- | NCGC00015697-07 | Myricetin...
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BergeninCas#: 477-90-7 Compound CID: 66065Formula: C14H16O9 Molecular Weight: 328.28IUPAC Name: (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-oneSMILES: COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)CO)O)O)OC2=O)OInChIKey: YWJXCIXBAKGUKZ-HJJNZUOJSA-NInChI: InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1Synonyms: B4349 | EN300-19651064 | YWJXCIXBAKGUKZ-HJJNZUOJSA-N | A827340 | (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxy...
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p-Nitrotoluene StandardCas#: 99-99-0 Compound CID: 7473Formula: C7H7NO2 Molecular Weight: 137.14IUPAC Name: 1-methyl-4-nitrobenzeneSMILES: CC1=CC=C(C=C1)[N+](=O)[O-]InChIKey: ZPTVNYMJQHSSEA-UHFFFAOYSA-NInChI: InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3Synonyms: 4-NITROTOLUENE|1-Methyl-4-nitrobenzene|99-99-0|p-Nitrotoluene|Benzene, 1-methyl-4-nitro-|4-Nitrotoluol|4-Methylnitrob...
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m-NitrotolueneCas#: 99-08-1 Compound CID: 7422Formula: C7H7NO2 Molecular Weight: 137.14IUPAC Name: 1-methyl-3-nitrobenzeneSMILES: CC1=CC(=CC=C1)[N+](=O)[O-]InChIKey: QZYHIOPPLUPUJF-UHFFFAOYSA-NInChI: InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3Synonyms: 3-Nitrotoluene|1-Methyl-3-nitrobenzene|m-Nitrotoluene|99-08-1|3-Nitrotoluol|Benzene, 1-methyl-3-nitro-|m-Methylnitrob...
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p-Xylene solutionCas#: 106-42-3 Compound CID: 7809Formula: C8H10 Molecular Weight: 106.17IUPAC Name: 1,4-xyleneSMILES: CC1=CC=C(C=C1)CInChIKey: URLKBWYHVLBVBO-UHFFFAOYSA-NInChI: InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3Synonyms: P-XYLENE|1,4-Dimethylbenzene|Para-Xylene|106-42-3|1,4-Xylene|p-Methyltoluene|p-Dimethylbenzene|p-Xylol|Benzene, 1,4-d...
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p-XyleneCas#: 106-42-3 Compound CID: 7809Formula: C8H10 Molecular Weight: 106.17IUPAC Name: 1,4-xyleneSMILES: CC1=CC=C(C=C1)CInChIKey: URLKBWYHVLBVBO-UHFFFAOYSA-NInChI: InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3Synonyms: P-XYLENE|1,4-Dimethylbenzene|Para-Xylene|106-42-3|1,4-Xylene|p-Methyltoluene|p-Dimethylbenzene|p-Xylol|Benzene, 1,4-d...
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o-Xylene solutionCas#: 95-47-6 Compound CID: 7237Formula: C8H10 Molecular Weight: 106.17IUPAC Name: 1,2-xyleneSMILES: CC1=CC=CC=C1CInChIKey: CTQNGGLPUBDAKN-UHFFFAOYSA-NInChI: InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3Synonyms: X0012 | Xylenes ACS | 3,4-Xylene | BDBM50008560 | UNII-Z2474E14QP | o-Xylene, analytical standard | 2-Methyltoluene |...