Dataset
Pratol
Chemical Info
InChI | InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-9,17H,1H3 |
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SMILES | C(OC1=C(C(=C(C(=C1[H])[H])C2=C(C(=O)C3=C(O2)C(=C(C(=C3[H])[H])O[H])[H])[H])[H])[H])([H])([H])[H] |
InChI Key | SQVXWIUVAILQRH-UHFFFAOYSA-N |
Molecular Formula | C16H12O4 |
Exact Mass | 268.074 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003649 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:34:44.786516 |
MetadataModified | 2024-01-11T12:34:44.943097 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL16751 | ChEMBL |
737233 | eMolecules |
5320693 | PubChem |
60025685 | NMRShiftDB |
PD120291 | ProbesDrugs |
14972131 | PubChem: Thomson Pharma |
487-24-1 | ACToR |
SCHEMBL534596 | SureChEMBL |
15W | PDBe |
KU5R959MO7 | FDA SRS |
MCULE-4757451306 | Mcule |
DTXSID20197587 | EPA CompTox Dashboard |
ZINC000005733557 | ZINC |
85573 | BindingDB |
246249 | Brenda |
J94.480G | Nikkaji |
92088 | Brenda |
The data in this table is sourced from UniChem at EBI. |