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12-Hydroxy-9-methyl-5H,11H-pyrano[3',2':6,7][1]benzopyrano[3,4-c]pyridine-5,11-dione(Isoschumanniophytine)
SpectraBase Compound ID EwOjvCsvWI8
InChI InChI=1S/C16H9NO5/c1-7-4-10(18)14-12(21-7)5-11(19)13-8-2-3-17-6-9(8)16(20)22-15(13)14/h2-6,19H,1H3
InChIKey GQTJZEAYAHVVPO-UHFFFAOYSA-N
Mol Weight 295.25 g/mol
Molecular Formula C16H9NO5
Exact Mass 295.048072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PbrMa905Q1
Name 12-Hydroxy-9-methyl-5H,11H-pyrano[3',2':6,7][1]benzopyrano[3,4-c]pyridine-5,11-dione(Isoschumanniophytine)
CAS Registry Number 96889-79-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9NO5
InChI InChI=1S/C16H9NO5/c1-7-4-10(18)14-12(21-7)5-11(19)13-8-2-3-17-6-9(8)16(20)22-15(13)14/h2-6,19H,1H3
InChIKey GQTJZEAYAHVVPO-UHFFFAOYSA-N
Molecular Weight 295.250 g/mol
SMILES Oc1c-2c(c3C(C=C(Oc3c1)C)=O)OC(c1cnccc21)=O
SPLASH splash10-0002-0090000000-a335992903bcdc9a9bd5
Source of Spectrum J-57-1596-2
Synonyms 11-hydroxy-2-methyl-4H,6H-pyrano[2',3':7,8]chromeno[3,4-c]pyridine-4,6-dione
Wiley ID 1298142