Dataset
![molecular Image]()
Karanjin
Chemical Info
| InChI | InChI=1S/C18H12O4/c1-20-18-15(19)13-7-8-14-12(9-10-21-14)17(13)22-16(18)11-5-3-2-4-6-11/h2-10H,1H3 |
|---|---|
| SMILES | COC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC=CC=C4 |
| InChI Key | LKPQNZRGGNOPPU-UHFFFAOYSA-N |
| Molecular Formula | C18H12O4 |
| Exact Mass | 292.074 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81522 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:25:18.464360 |
| MetadataModified | 2025-02-09T20:11:12.890230 |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL208484 | ChEMBL |
| 166631 | ChEBI |
| HY-N2534 | MedChemExpress |
| MCULE-6473864283 | Mcule |
| DTXSID20200106 | EPA CompTox Dashboard |
| SEMVAH | CCDC |
| ZINC000000039119 | ZINC |
| J6.616H | Nikkaji |
| HMDB0253763 | Human Metabolome Database |
| LMPK12111542 | LipidMaps |
| PD158715 | ProbesDrugs |
| 521-88-0 | ACToR |
| 60027051 | NMRShiftDB |
| 744166 | eMolecules |
| 138791 | Brenda |
| CB4134736 | ChemicalBook |
| 100633 | PubChem |
| WV7IM0I02M | FDA SRS |
| SCHEMBL247164 | SureChEMBL |
| The data in this table is sourced from UniChem at EBI. | |