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Chrysophanol 2ME
SpectraBase Compound ID 7mN6Uq9YnRH
InChI InChI=1S/C17H14O4/c1-9-7-11-15(13(8-9)21-3)17(19)14-10(16(11)18)5-4-6-12(14)20-2/h4-8H,1-3H3
InChIKey LODCICIWBUFMMY-UHFFFAOYSA-N
Mol Weight 282.3 g/mol
Molecular Formula C17H14O4
Exact Mass 282.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkjbqCX7ED8
Name Chrysophanol 2ME
Classification Laxative
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Exact Mass 282.089208927 u
Formula C17H14O4
InChI InChI=1S/C17H14O4/c1-9-7-11-15(13(8-9)21-3)17(19)14-10(16(11)18)5-4-6-12(14)20-2/h4-8H,1-3H3
InChIKey LODCICIWBUFMMY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 282.295 g/mol
SMILES c1ccc2c(C(=O)c3c(cc(cc3OC)C)C2=O)c1OC
SPLASH splash10-014i-4790000000-05603859f7c3cfe4f0c3
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_3564