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Citromycin

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Citromycin
SpectraBase Compound ID HSEYqXniJMM
InChI InChI=1S/C13H10O5/c1-6-2-9(14)8-5-17-12-4-11(16)10(15)3-7(12)13(8)18-6/h2-4,15-16H,5H2,1H3
InChIKey QZZUHPUWIRSQPB-UHFFFAOYSA-N
Mol Weight 246.22 g/mol
Molecular Formula C13H10O5
Exact Mass 246.052823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KDua08NXNN
Name Citromycin
CAS Registry Number 37209-30-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10O5
InChI InChI=1S/C13H10O5/c1-6-2-9(14)8-5-17-12-4-11(16)10(15)3-7(12)13(8)18-6/h2-4,15-16H,5H2,1H3
InChIKey QZZUHPUWIRSQPB-UHFFFAOYSA-N
Molecular Weight 246.218 g/mol
SMILES Oc1cc2c(cc1O)OCC1=C2OC(=CC1=O)C
SPLASH splash10-0002-0090000000-cbebb774c07d107349db
Source of Spectrum KC-1988-759-13
Synonyms 2-methyl-8,9-bis(oxidanyl)-5H-pyrano[3,2-c]chromen-4-one 8,9-dihydroxy-2-methyl-5H-pyrano[3,2-c]chromen-4-one 8,9-dihydroxy-2-methyl-5H-pyrano[3,2-c][1]benzopyran-4-one
Wiley ID 1248756