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Piscidic acid
SpectraBase Compound ID 4Cqnh97P6LJ
InChI InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)
InChIKey TUODPMGCCJSJRH-UHFFFAOYSA-N
Mol Weight 256.21 g/mol
Molecular Formula C11H12O7
Exact Mass 256.058303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID POoL3FpM7I
Name Piscidic acid
CAS Registry Number 469-65-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O7
InChI InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)
InChIKey TUODPMGCCJSJRH-UHFFFAOYSA-N
Molecular Weight 256.210 g/mol
SMILES OC(C(C(C(=O)O)O)(Cc1ccc(cc1)O)O)=O
SPLASH splash10-0a4i-8910000000-332a5ded3200245e2cad
Source of Spectrum CD-593-0-0
Synonyms 2,3-Dihydroxy-2-(4-hydroxybenzyl)succinic acid 2,3-Dihydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid 2-[(4-hydroxyphenyl)methyl]-2,3-bis(oxidanyl)butanedioic acid
Wiley ID 102860