| SpectraBase Spectrum ID |
3Ff8fLFTENc |
| Name |
Chrysophanol ME |
| Classification |
Laxative |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
268.073558862 u |
| Formula |
C16H12O4 |
| InChI |
InChI=1S/C16H12O4/c1-8-6-10-14(12(7-8)20-2)16(19)13-9(15(10)18)4-3-5-11(13)17/h3-7,17H,1-2H3 |
| InChIKey |
KVRUANCWPQJDMF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
268.268 g/mol |
| SMILES |
c1c(O)c2c(cc1)C(c1c(c(cc(c1)C)OC)C2=O)=O |
| SPLASH |
splash10-0gi0-5790000000-f99c94951f5a39723b07 |
| 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_3563 |
