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9-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-keto-chromen-2-yl]pelargonic acid methyl ester
SpectraBase Compound ID 8Z2MdBM78s2
InChI InChI=1S/C25H28O7/c1-31-22(29)9-7-5-3-2-4-6-8-20-23(16-10-12-17(26)13-11-16)25(30)24-19(28)14-18(27)15-21(24)32-20/h10-15,26-28H,2-9H2,1H3
InChIKey RKTONALNRITWSH-UHFFFAOYSA-N
Mol Weight 440.49 g/mol
Molecular Formula C25H28O7
Exact Mass 440.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5q1Q7F0aO9
Name 9-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-keto-chromen-2-yl]pelargonic acid methyl ester
Alternate Name(s) 9-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-1-benzopyran-2-yl]nonanoic acid methyl ester Methyl 9-[3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]nonanoate Methyl 9-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-chromen-2-yl]nonanoate
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Formula C25H28O7
InChI InChI=1S/C25H28O7/c1-31-22(29)9-7-5-3-2-4-6-8-20-23(16-10-12-17(26)13-11-16)25(30)24-19(28)14-18(27)15-21(24)32-20/h10-15,26-28H,2-9H2,1H3
InChIKey RKTONALNRITWSH-UHFFFAOYSA-N
Molecular Weight 440.492 g/mol
SMILES Oc1cc(cc2c1C(C(c1ccc(cc1)O)=C(O2)CCCCCCCCC(=O)OC)=O)O
SPLASH splash10-0007-0162900000-bc1fecc087e38d674353
Source of Spectrum SO-0-414-2
Wiley ID 877372