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Isoxerocomic acid
SpectraBase Compound ID EPOmhxUdfEO
InChI InChI=1S/C18H12O8/c19-10-4-1-8(2-5-10)13-15(22)16(26-18(13)25)14(17(23)24)9-3-6-11(20)12(21)7-9/h1-7,19-22H,(H,23,24)/b16-14+
InChIKey LTTYWERVHIDGQN-JQIJEIRASA-N
Mol Weight 356.29 g/mol
Molecular Formula C18H12O8
Exact Mass 356.053217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Expp5Pp5UN2
Name Isoxerocomic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12O8
InChI InChI=1S/C18H12O8/c19-10-4-1-8(2-5-10)13-15(22)16(26-18(13)25)14(17(23)24)9-3-6-11(20)12(21)7-9/h1-7,19-22H,(H,23,24)/b16-14+
InChIKey LTTYWERVHIDGQN-JQIJEIRASA-N
Literature Reference DOI 10.5560/ZNB.2014-3307
Molecular Weight 356.286 g/mol
SMILES OC1=C(C(O\C1=C\(c1ccc(c(c1)O)O)C(O)=O)=O)c1ccc(cc1)O
SPLASH splash10-006x-8910000000-277cd3a8a14ffc7513fc
Source of Spectrum ZNB-69b-436-2a
Synonyms (E)-2-(3,4-dihydroxyphenyl)-2-(3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2(5H)-ylidene)acetic acid
Wiley ID 1747975