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1-(9H-$b-carbolin-1-yl)-3,4,5-trihydroxy-pentan-1-one
SpectraBase Compound ID Cx4zKYtFnOw
InChI InChI=1S/C16H16N2O4/c19-8-14(22)12(20)7-13(21)16-15-10(5-6-17-16)9-3-1-2-4-11(9)18-15/h1-6,12,14,18-20,22H,7-8H2
InChIKey RSEGMZMZRFXVDC-UHFFFAOYSA-N
Mol Weight 300.31 g/mol
Molecular Formula C16H16N2O4
Exact Mass 300.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4g8uPAPLrU
Name 1-(9H-$b-carbolin-1-yl)-3,4,5-trihydroxy-pentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O4
InChI InChI=1S/C16H16N2O4/c19-8-14(22)12(20)7-13(21)16-15-10(5-6-17-16)9-3-1-2-4-11(9)18-15/h1-6,12,14,18-20,22H,7-8H2
InChIKey RSEGMZMZRFXVDC-UHFFFAOYSA-N
Molecular Weight 300.314 g/mol
SMILES [nH]1c2ccccc2c2c1c(C(CC(C(CO)O)O)=O)ncc2
SPLASH splash10-014i-0920000000-2bb3f04c2f49b21bef2e
Source of Spectrum EMC-32-1015-16a
Synonyms 3,4,5-trihydroxy-1-(9H-pyrido[3,4-b]indol-1-yl)pentan-1-one 3,4,5-trihydroxy-1-(9H-pyrido[3,4-b]indol-1-yl)-1-pentanone 1-(3,4,5-trihydroxy-1-oxo-pentyl)-.beta.-carboline 3,4,5-tris(oxidanyl)-1-(9H-pyrido[3,4-b]indol-1-yl)pentan-1-one
Wiley ID 1734363