Dataset
![molecular Image]()
Aloe-emodin
Chemical Info
| 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 |
|---|---|
| SMILES | OCC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2=O |
| InChI Key | YDQWDHRMZQUTBA-UHFFFAOYSA-N |
| Molecular Formula | C15H10O5 |
| Exact Mass | 270.240 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR306559 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T19:57:35.895250 |
| MetadataModified | 2025-02-09T18:26:40.168662 |
| MetadataPublished | 2019-03-28 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| HY-N0189 | MedChemExpress |
| DTXSID2030695 | EPA CompTox Dashboard |
| 50085551 | BindingDB |
| J5.780K | Nikkaji |
| LMPK13040002 | LipidMaps |
| 504178 | eMolecules |
| C10294 | KEGG Ligand |
| CHEMBL40275 | ChEMBL |
| 22395915 | PubChem: Drugs of the Future |
| 10207 | PubChem |
| PD010804 | ProbesDrugs |
| C8IYT9CR7C | FDA SRS |
| 14872626 | PubChem: Thomson Pharma |
| SCHEMBL309756 | SureChEMBL |
| 481-72-1 | ACToR |
| MCULE-6965338444 | Mcule |
| 2607 | ChEBI |
| 2493 | NMRShiftDB |
| ZINC000004098644 | ZINC |
| CB6727767 | ChemicalBook |
| HMDB0030829 | Human Metabolome Database |
| 11587 | Brenda |
| 28097 | Brenda |
| MTBLC2607 | Metabolights |
| The data in this table is sourced from UniChem at EBI. | |