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Aloe-emodin ME
SpectraBase Compound ID KRvStywjKJF
InChI InChI=1S/C16H12O5/c1-21-12-6-8(7-17)5-10-14(12)16(20)13-9(15(10)19)3-2-4-11(13)18/h2-6,17-18H,7H2,1H3
InChIKey OVKPXCWAWJBGMN-UHFFFAOYSA-N
Mol Weight 284.27 g/mol
Molecular Formula C16H12O5
Exact Mass 284.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qHBwbwsF6
Name Aloe-emodin ME
Classification Laxative
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 284.068473481 u
Formula C16H12O5
InChI InChI=1S/C16H12O5/c1-21-12-6-8(7-17)5-10-14(12)16(20)13-9(15(10)19)3-2-4-11(13)18/h2-6,17-18H,7H2,1H3
InChIKey OVKPXCWAWJBGMN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 284.267 g/mol
SMILES c1ccc2c(C(=O)c3c(cc(cc3OC)CO)C2=O)c1O
SPLASH splash10-001r-3590000000-0f30eb37c861823c7ec1
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_3561