Dataset
![molecular Image]()
Benzanthrone
Chemical Info
| InChI | InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H |
|---|---|
| SMILES | c1ccc2c(c1)c1cccc3c1c(ccc3)C2=O |
| InChI Key | HUKPVYBUJRAUAG-UHFFFAOYSA-N |
| Molecular Formula | C17H10O |
| Exact Mass | 230.073 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UA001201 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:00:39.177179 |
| MetadataModified | 2025-02-09T19:46:01.982829 |
| MetadataPublished | 2014-06-24 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| LSM-3723 | LINCS |
| LP5P3RR8QN | FDA SRS |
| 116664-93-8 | ACToR |
| 15245458 | PubChem: Thomson Pharma |
| 82-05-3 | ACToR |
| PD000528 | ProbesDrugs |
| 116495-96-6 | ACToR |
| 477157 | eMolecules |
| SCHEMBL23838 | SureChEMBL |
| MCULE-6216392978 | Mcule |
| 135950 | Brenda |
| ZINC000003860207 | ZINC |
| SIHCIV | CCDC |
| 93350 | ChEBI |
| HMDB0248974 | Human Metabolome Database |
| DTXSID8052566 | EPA CompTox Dashboard |
| J3.864D | Nikkaji |
| 6697 | PubChem |
| CB6854436 | ChemicalBook |
| CHEMBL1607517 | ChEMBL |
| The data in this table is sourced from UniChem at EBI. | |