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5-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-keto-chromen-2-yl]valeric acid methyl ester
SpectraBase Compound ID 31Zg8IQ1pyc
InChI InChI=1S/C21H20O7/c1-27-18(25)5-3-2-4-16-19(12-6-8-13(22)9-7-12)21(26)20-15(24)10-14(23)11-17(20)28-16/h6-11,22-24H,2-5H2,1H3
InChIKey SWROVSLRGFEESB-UHFFFAOYSA-N
Mol Weight 384.38 g/mol
Molecular Formula C21H20O7
Exact Mass 384.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PNzzhqobTB
Name 5-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-keto-chromen-2-yl]valeric acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O7
InChI InChI=1S/C21H20O7/c1-27-18(25)5-3-2-4-16-19(12-6-8-13(22)9-7-12)21(26)20-15(24)10-14(23)11-17(20)28-16/h6-11,22-24H,2-5H2,1H3
InChIKey SWROVSLRGFEESB-UHFFFAOYSA-N
Molecular Weight 384.384 g/mol
SMILES Oc1cc(cc2c1C(C(c1ccc(cc1)O)=C(O2)CCCCC(=O)OC)=O)O
SPLASH splash10-000t-0398000000-545740d989f428e8a92d
Source of Spectrum SO-0-414-2
Synonyms 5-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-1-benzopyran-2-yl]pentanoic acid methyl ester Methyl 5-[3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]pentanoate Methyl 5-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-chromen-2-yl]pentanoate
Wiley ID 877374