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(3S,4R)-1-(9H-$b-carbolin-1-yl)-3,4,5-trihydroxy-pentan-1-one
SpectraBase Compound ID 5yyjV7v0Pyx
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/t12-,14+/m0/s1
InChIKey RSEGMZMZRFXVDC-GXTWGEPZSA-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 JJQVuFcVPxh
Name (3S,4R)-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/t12-,14+/m0/s1
InChIKey RSEGMZMZRFXVDC-GXTWGEPZSA-N
Molecular Weight 300.314 g/mol
SMILES [nH]1c2ccccc2c2c1c(C(C[C@@]([C@@](CO)(O)[H])(O)[H])=O)ncc2
SPLASH splash10-03xr-0390000000-0aabbf61a8e85885c2eb
Source of Spectrum E1-44-2197-1
Synonyms (3S,4R)-3,4,5-trihydroxy-1-(9H-pyrido[3,4-b]indol-1-yl)-1-pentanone (3S,4R)-3,4,5-trihydroxy-1-(9H-pyrido[3,4-b]indol-1-yl)pentan-1-one (3S,4R)-3,4,5-tris(oxidanyl)-1-(9H-pyrido[3,4-b]indol-1-yl)pentan-1-one
Wiley ID 1553635