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Armillarisin A
SpectraBase Compound ID 9gPKhb9taty
InChI InChI=1S/C12H10O5/c1-6(14)9-4-10-7(5-13)2-8(15)3-11(10)17-12(9)16/h2-4,13,15H,5H2,1H3
InChIKey XVZWWNMZVZWQKU-UHFFFAOYSA-N
Mol Weight 234.21 g/mol
Molecular Formula C12H10O5
Exact Mass 234.052823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DEN199GudrH
Name Armillarisin A
CAS Registry Number 53696-74-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10O5
InChI InChI=1S/C12H10O5/c1-6(14)9-4-10-7(5-13)2-8(15)3-11(10)17-12(9)16/h2-4,13,15H,5H2,1H3
InChIKey XVZWWNMZVZWQKU-UHFFFAOYSA-N
Molecular Weight 234.207 g/mol
SMILES Oc1cc2c(c(CO)c1)C=C(C(O2)=O)C(=O)C
SPLASH splash10-015c-9450000000-1b983a45413c049c0775
Source of Spectrum CD-356-0-0
Synonyms 2H-1-benzopyran-2-one, 3-acetyl-7-hydroxy-5-(hydroxymethyl)- 3-Acetyl-5-hydroxymethyl-7-hydroxycoumarin 3-Acetyl-7-hydroxy-5-(hydroxymethyl)-1-benzopyran-2-one 3-Acetyl-7-hydroxy-5-(hydroxymethyl)-2H-1-benzopyran-2-one 3-Acetyl-7-hydroxy-5-(hydroxymethyl)-2H-chromen-2-one 3-Acetyl-7-hydroxy-5-(hydroxymethyl)chromen-2-one 3-Acetyl-7-hydroxy-5-methylol-coumarin 3-Ethanoyl-5-(hydroxymethyl)-7-oxidanyl-chromen-2-one
Wiley ID 1235698