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ISOXANTHOHUMOL
SpectraBase Compound ID L5tlyPQz5fF
InChI InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3
InChIKey YKGCBLWILMDSAV-UHFFFAOYSA-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 6yf2bczSUf2
Name (+/-)-2,3-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-butenyl)-4H-benzopyran-4-one
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Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3
InChIKey YKGCBLWILMDSAV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19883210112
Molecular Weight 354.402 g/mol
SMILES Oc1c(c2c(C(CC(c3ccc(cc3)O)O2)=O)c(c1)OC)CC=C(C)C
SPLASH splash10-0fb9-0839000000-2a6ae14ed326538f2557
Source of Spectrum APC-321-39-rac_6
Synonyms Isoxanthohumol 7-Hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-en-1-yl)chroman-4-one
Wiley ID 1788397