Nepetin

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Systematic / IUPAC Name: 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one

ID: Reference7784

Other Names: Eupafolin;
Eurafolin;
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-1-benzopyran-4-one;
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one;
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy- ; more

Formula: C16H12O7

Spectral Data

Nepetin 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 565
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/16/2018 11:18:34 AM
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Identificators

InChI InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3
InChI Key FHHSEFRSDKWJKJ-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)O
CAS
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Other Names Eupafolin;
Eurafolin;
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-1-benzopyran-4-one;
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one;
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-;
6-Methoxy 5,7,3',4'-tetrahydroxyflavone;
6-Methoxyluteolin;
Flavone, 3',4',5,7-tetrahydroxy-6-methoxy-

In Other Databases

Wikipedia Nepetin
PubChem 5317284
ChEMBL CHEMBL172350
ChemIDPlus 000520116
ChemSpider 4476172