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3',3'''-BIAPIGENIN
SpectraBase Compound ID HCcdQVIB0uo
InChI InChI=1S/C30H18O10/c31-15-7-21(35)29-23(37)11-25(39-27(29)9-15)13-1-3-19(33)17(5-13)18-6-14(2-4-20(18)34)26-12-24(38)30-22(36)8-16(32)10-28(30)40-26/h1-12,31-36H
InChIKey ABTLXABUBTZEQF-UHFFFAOYSA-N
Mol Weight 538.46 g/mol
Molecular Formula C30H18O10
Exact Mass 538.089997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bb3K20osTKo
Name 4',4'',5,5",7,7"-Hexahydroxy-3',3''-biflavanone
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Formula C30H18O10
InChI InChI=1S/C30H18O10/c31-15-7-21(35)29-23(37)11-25(39-27(29)9-15)13-1-3-19(33)17(5-13)18-6-14(2-4-20(18)34)26-12-24(38)30-22(36)8-16(32)10-28(30)40-26/h1-12,31-36H
InChIKey ABTLXABUBTZEQF-UHFFFAOYSA-N
Molecular Weight 538.464 g/mol
SMILES Oc1cc(c2C(C=C(c3cc(-c4c(ccc(c4)C4=CC(c5c(O4)cc(cc5O)O)=O)O)c(cc3)O)Oc2c1)=O)O
SPLASH splash10-000i-0201090000-d8fd72a8824a57030c55
Source of Spectrum F4-42-2783-9
Synonyms 2-[3-[5-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]-5,7-dihydroxy-1-benzopyran-4-one 2-[3-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one 2-[3-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-hydroxy-phenyl]-4-hydroxy-phenyl]-5,7-dihydroxy-chromen-4-one 2-[3-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)chromen-4-one
Wiley ID 1673843