Dataset
Emodin
Chemical Info
InChI | InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 |
---|---|
SMILES | Cc(c3)cc(c(=O)1)c(c(O)3)c(=O)c(c(O)2)c(cc(O)c2)1 |
InChI Key | RHMXXJGYXNZAPX-UHFFFAOYSA-N |
Molecular Formula | C15H10O5 |
Exact Mass | 270.053 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00057 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:36:54.367650 |
MetadataModified | 2024-01-11T16:36:54.559596 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL289277 | ChEMBL |
DB07715 | DrugBank |
C10343 | KEGG Ligand |
EMO | PDBe |
12015057 | PubChem: Drugs of the Future |
11318 | BindingDB |
LMPK13040008 | LipidMaps |
HY-14393 | MedChemExpress |
DTXSID5025231 | EPA CompTox Dashboard |
ZINC000003824868 | ZINC |
J6.587K | Nikkaji |
ETANIY | CCDC |
14848365 | PubChem: Thomson Pharma |
3220 | PubChem |
60015844 | NMRShiftDB |
PD001535 | ProbesDrugs |
KA46RNI6HN | FDA SRS |
518-82-1 | ACToR |
LSM-18994 | LINCS |
Emodin | Selleck |
78965 | Brenda |
HMDB0035214 | Human Metabolome Database |
CB2258856 | ChemicalBook |
14293 | Brenda |
MTBLC42223 | Metabolights |
37045 | Brenda |
3072 | Brenda |
MCULE-1083063386 | Mcule |
SCHEMBL177689 | SureChEMBL |
42223 | ChEBI |
509347 | eMolecules |
The data in this table is sourced from UniChem at EBI. |