Dataset
1,8,9-Anthracenetriol
Chemical Info
InChI | InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-17H |
---|---|
SMILES | C1(=C(C2=C(C3=C(C(=C(C(=C3[H])[H])[H])O[H])C(=C2C(=C1[H])O[H])O[H])[H])[H])[H] |
InChI Key | YUTJCNNFTOIOGT-UHFFFAOYSA-N |
Molecular Formula | C14H10O3 |
Exact Mass | 226.063 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-BS003006 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:34:18.682233 |
MetadataModified | 2024-01-11T12:34:18.845060 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
2756 | ChEBI |
CHEMBL1579066 | ChEMBL |
2724713 | eMolecules |
480-22-8 | ACToR |
10187 | PubChem |
14773698 | PubChem: Thomson Pharma |
SCHEMBL3198 | SureChEMBL |
PD013795 | ProbesDrugs |
ZINC000100014431 | ZINC |
CB3368709 | ChemicalBook |
DTXSID7026231 | EPA CompTox Dashboard |
50065 | BindingDB |
MolPort-005-933-608 | MolPort |
HMDB0244253 | Human Metabolome Database |
J5.223J | Nikkaji |
The data in this table is sourced from UniChem at EBI. |