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Aloe-emodin AC
SpectraBase Compound ID 2DvQQ2IaXZw
InChI InChI=1S/C17H12O6/c1-8(18)23-7-9-5-11-15(13(20)6-9)17(22)14-10(16(11)21)3-2-4-12(14)19/h2-6,19-20H,7H2,1H3
InChIKey FUECAILUKAJTBR-UHFFFAOYSA-N
Mol Weight 312.28 g/mol
Molecular Formula C17H12O6
Exact Mass 312.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dy5u6XVmNTl
Name Aloe-emodin AC
Classification Laxative
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 312.063388100 u
Formula C17H12O6
InChI InChI=1S/C17H12O6/c1-8(18)23-7-9-5-11-15(13(20)6-9)17(22)14-10(16(11)21)3-2-4-12(14)19/h2-6,19-20H,7H2,1H3
InChIKey FUECAILUKAJTBR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 312.277 g/mol
SMILES c1ccc2C(c3cc(cc(c3C(c2c1O)=O)O)COC(C)=O)=O
SPLASH splash10-00di-1391000000-5c1cd32119ef0097dffd
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_3559