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5,7-DIHYDROXY-4'-METHOXY-8-(3-METHYLBUT-2-ENYL)-FLAVANONE
SpectraBase Compound ID GYoRTmREeNd
InChI InChI=1S/C21H22O5/c1-12(2)4-9-15-16(22)10-17(23)20-18(24)11-19(26-21(15)20)13-5-7-14(25-3)8-6-13/h4-8,10,19,22-23H,9,11H2,1-3H3/t19-/m0/s1
InChIKey CTFJUDTWKJHYNX-IBGZPJMESA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OOniuQzuWT
Name (2S)-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
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Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-12(2)4-9-15-16(22)10-17(23)20-18(24)11-19(26-21(15)20)13-5-7-14(25-3)8-6-13/h4-8,10,19,22-23H,9,11H2,1-3H3/t19-/m0/s1
InChIKey CTFJUDTWKJHYNX-IBGZPJMESA-N
Molecular Weight 354.402 g/mol
SMILES Oc1c(c2c(c(c1)O)C(C[C@](O2)(c1ccc(OC)cc1)[H])=O)CC=C(C)C
SPLASH splash10-0gb9-1923000000-42d98110be37693d6a8f
Source of Spectrum X2-56-53-4
Synonyms (2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one (2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-4-one (2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
Wiley ID 1604704