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Thunberginol B [3-(3,4-dihydroxyphnyl)-6,8-dihydroxyisocoumarin]
SpectraBase Compound ID 4tVXE4efnPd
InChI InChI=1S/C15H10O6/c16-9-3-8-5-13(7-1-2-10(17)11(18)4-7)21-15(20)14(8)12(19)6-9/h1-6,16-19H
InChIKey NHFGEHLUROYMEB-UHFFFAOYSA-N
Mol Weight 286.24 g/mol
Molecular Formula C15H10O6
Exact Mass 286.047738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBdlYvrGvMt
Name Thunberginol B [3-(3,4-dihydroxyphnyl)-6,8-dihydroxyisocoumarin]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10O6
InChI InChI=1S/C15H10O6/c16-9-3-8-5-13(7-1-2-10(17)11(18)4-7)21-15(20)14(8)12(19)6-9/h1-6,16-19H
InChIKey NHFGEHLUROYMEB-UHFFFAOYSA-N
Molecular Weight 286.239 g/mol
SMILES Oc1cc(cc2c1C(OC(c1ccc(c(c1)O)O)=C2)=O)O
SPLASH splash10-014r-0190000000-a80ef8d3dfa867df3f67
Source of Spectrum F-59-2076-3b
Synonyms Thunberginol B 3-(3,4-dihydroxyphenyl)-6,8-dihydroxyisocoumarin 3-(3,4-dihydroxyphenyl)-6,8-dihydroxy-2-benzopyran-1-one 3-(3,4-dihydroxyphenyl)-6,8-dihydroxyisochromen-1-one 3-(3,4-dihydroxyphenyl)-6,8-dihydroxy-isochromen-1-one 3-[3,4-bis(oxidanyl)phenyl]-6,8-bis(oxidanyl)isochromen-1-one
Wiley ID 1677384