5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one

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Systematic / IUPAC Name: 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one

ID: Reference6639

Other Names: (2R)-5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one

Formula: C16H14O6

Spectral Data

5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 182
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/24/2017 1:52:35 PM
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Identificators

InChI InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m1/s1
InChI Key AIONOLUJZLIMTK-CQSZACIVSA-N
Canonical SMILES COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O
CAS
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Other Names (2R)-5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one

In Other Databases

ChemSpider 588896
HMDb HMDB30746
ChEMBL CHEMBL88169; CHEMBL1589200
ChEBI CHEBI:95167
PubChem 676152