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Xerocomic cid
SpectraBase Compound ID KSIXuaWsWnk
InChI InChI=1S/C18H12O8/c19-10-4-1-8(2-5-10)14(17(23)24)16-15(22)13(18(25)26-16)9-3-6-11(20)12(21)7-9/h1-7,19-22H,(H,23,24)/b16-14+
InChIKey LJVSOLKVNIGBDE-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 QEUuwrIsi
Name Xerocomic cid
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)14(17(23)24)16-15(22)13(18(25)26-16)9-3-6-11(20)12(21)7-9/h1-7,19-22H,(H,23,24)/b16-14+
InChIKey LJVSOLKVNIGBDE-JQIJEIRASA-N
Molecular Weight 356.286 g/mol
SMILES Oc1cc(C2=C(\C(OC2=O)=C/(C(=O)O)c2ccc(cc2)O)O)ccc1O
SPLASH splash10-004l-9000000000-68b4e760a2aa009b2934
Source of Spectrum KC-61-2063-15
Synonyms (2E)-2-[4-(3,4-dihydroxyphenyl)-3-hydroxy-5-oxo-2-furanylidene]-2-(4-hydroxyphenyl)acetic acid (2E)-2-[4-(3,4-dihydroxyphenyl)-3-hydroxy-5-oxofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid (2E)-2-[4-(3,4-dihydroxyphenyl)-3-hydroxy-5-oxo-2-furylidene]-2-(4-hydroxyphenyl)acetic acid (2E)-2-[4-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-5-oxidanylidene-furan-2-ylidene]-2-(4-hydroxyphenyl)ethanoic acid
Wiley ID 1627841