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Citrinin

View entire compound with spectra: 1 NMR, and 3 MS (GC)

Citrinin
SpectraBase Compound ID EcdD6APQQjp
InChI InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1
InChIKey CQIUKKVOEOPUDV-IYSWYEEDSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLLzlWGuSL4
Name 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R-trans)-
CAS Registry Number 518-75-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1
InChIKey CQIUKKVOEOPUDV-IYSWYEEDSA-N
Molecular Weight 250.250 g/mol
SMILES OC1=C(C(=O)O)C(C(=C2C1=CO[C@@]([C@]2(C)[H])(C)[H])C)=O
SPLASH splash10-1003-7960000000-d9a4727c16ae3132c44f
Synonyms 8-Hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid (3R,4S)-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo- 4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid Antimycin Citriain Citrinin
Wiley ID 1508754