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7-[3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]heptanoic acid
SpectraBase Compound ID 2lHTJmAnmU5
InChI InChI=1S/C22H22O7/c23-14-9-7-13(8-10-14)20-17(5-3-1-2-4-6-19(26)27)29-18-12-15(24)11-16(25)21(18)22(20)28/h7-12,23-25H,1-6H2,(H,26,27)
InChIKey GJDFLOQCLSMYFS-UHFFFAOYSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ehFZlQkEej
Name 7-[3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]heptanoic acid
Alternate Name(s) 7-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-keto-chromen-2-yl]enanthic acid 7-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-1-benzopyran-2-yl]heptanoic acid 7-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-chromen-2-yl]heptanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O7
InChI InChI=1S/C22H22O7/c23-14-9-7-13(8-10-14)20-17(5-3-1-2-4-6-19(26)27)29-18-12-15(24)11-16(25)21(18)22(20)28/h7-12,23-25H,1-6H2,(H,26,27)
InChIKey GJDFLOQCLSMYFS-UHFFFAOYSA-N
Molecular Weight 398.411 g/mol
SMILES Oc1cc(cc2c1C(C(c1ccc(cc1)O)=C(O2)CCCCCCC(=O)O)=O)O
SPLASH splash10-0002-0059000000-7ec6e8917a087f52b3c4
Source of Spectrum SO-20-415-3
Wiley ID 877532