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4H-1-Benzopyran-4-one, 6-.beta.-d-glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
SpectraBase Compound ID 6tU1GuGn3x3
InChI InChI=1S/C22H22O10/c1-30-13-7-14-16(11(25)6-12(31-14)9-2-4-10(24)5-3-9)19(27)17(13)22-21(29)20(28)18(26)15(8-23)32-22/h2-7,15,18,20-24,26-29H,8H2,1H3
InChIKey ABRULANJVVJLFI-UHFFFAOYSA-N
Mol Weight 446.41 g/mol
Molecular Formula C22H22O10
Exact Mass 446.121297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmqWn0KqxSe
Name 4H-1-Benzopyran-4-one, 6-.beta.-d-glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
CAS Registry Number 6991-10-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O10
InChI InChI=1S/C22H22O10/c1-30-13-7-14-16(11(25)6-12(31-14)9-2-4-10(24)5-3-9)19(27)17(13)22-21(29)20(28)18(26)15(8-23)32-22/h2-7,15,18,20-24,26-29H,8H2,1H3
InChIKey ABRULANJVVJLFI-UHFFFAOYSA-N
Molecular Weight 446.408 g/mol
SMILES Oc1ccc(C2=CC(c3c(cc(c(C4OC(C(C(C4O)O)O)CO)c3O)OC)O2)=O)cc1
SPLASH splash10-0002-2193000000-fa3b5053b30a0b6d18f8
Source of Spectrum T-68-4874-0
Synonyms 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)chromone 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one 6-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-7-methoxy-5-oxidanyl-chromen-4-one Flavecommeletin Flavocommelitin Swertisin
Wiley ID 60438