Scrophulein

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Systematic / IUPAC Name: 5-Hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-chromen-4-one

ID: Reference7753

Other Names: Cirsimaritin;
Cirsimartin;
Skrofulein;
4',5-Dihydroxy-6,7-dimethoxyflavone;
4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy- ; more

Formula: C17H14O6

Spectral Data

Scrophulein mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/11/2018 11:02:27 AM
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Identificators

InChI InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
InChI Key ZIIAJIWLQUVGHB-UHFFFAOYSA-N
Canonical SMILES COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC
CAS 6601623
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Other Names Cirsimaritin;
Cirsimartin;
Skrofulein;
4',5-Dihydroxy-6,7-dimethoxyflavone;
4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-;
5-Hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one;
5-Hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one;
6,7-Dimethoxyscutellarein;
6-Methoxygenkwanin;
7-Methylcapillarisin;
Flavone, 4',5-dihydroxy-6,7-dimethoxy-

In Other Databases

PubChem 188323
KEGG C17785
ChEMBL CHEMBL348436
ChEBI CHEBI:81337
ChemIDPlus 006601623
ChemSpider 163686