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Aloe-emodin 2AC
SpectraBase Compound ID J0C3hZnbicQ
InChI InChI=1S/C19H14O7/c1-9(20)25-8-11-6-13-17(15(7-11)26-10(2)21)19(24)16-12(18(13)23)4-3-5-14(16)22/h3-7,22H,8H2,1-2H3
InChIKey UZUHQLZQUHUYGS-UHFFFAOYSA-N
Mol Weight 354.31 g/mol
Molecular Formula C19H14O7
Exact Mass 354.073953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ekzXouHkO
Name Aloe-emodin 2AC
Classification Laxative
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 354.073952784 u
Formula C19H14O7
InChI InChI=1S/C19H14O7/c1-9(20)25-8-11-6-13-17(15(7-11)26-10(2)21)19(24)16-12(18(13)23)4-3-5-14(16)22/h3-7,22H,8H2,1-2H3
InChIKey UZUHQLZQUHUYGS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 354.314 g/mol
SMILES c1ccc2C(c3c(c(cc(COC(C)=O)c3)OC(C)=O)C(c2c1O)=O)=O
SPLASH splash10-00di-0194000000-772a41ff08c8eb26553f
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_3560