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Aloe-emodin
SpectraBase Compound ID 1wEMc2Xgf45
InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
InChIKey YDQWDHRMZQUTBA-UHFFFAOYSA-N
Mol Weight 270.24 g/mol
Molecular Formula C15H10O5
Exact Mass 270.052823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLgSmQRSS7t
Name Aloe-emodin
CAS Registry Number 481-72-1
Classification Laxative
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 270.052823417 u
Formula C15H10O5
InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
InChIKey YDQWDHRMZQUTBA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 270.240 g/mol
SMILES c1c(O)c2c(cc1)C(c1c(c(cc(c1)CO)O)C2=O)=O
SPLASH splash10-00dl-4590000000-5b35037aab3d347a906b
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_3552