Dataset
electrospray ionisation mass spectrometry (ESMS)
Chemical Info
InChI | InChI=1S/C6H8O6P2/c7-13(8,9)5-1-2-6(4-3-5)14(10,11)12/h1-4H,(H2,7,8,9)(H2,10,11,12) |
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SMILES | OP(=O)(c1ccc(cc1)P(=O)(O)O)O |
InChI Key | JHDJUJAFXNIIIW-UHFFFAOYSA-N |
Molecular Formula | C6H8O6P2 |
Exact Mass | 238.072 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/JHDJUJAFXNIIIW-UHFFFAOYSA-N/CHMO0000482 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/JHDJUJAFXNIIIW-UHFFFAOYSA-N/CHMO0000482 |
Version | |
Author | Simon Oßwald |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T05:44:44.662154 |
MetadataModified | 2024-09-07T21:18:51.219886 |
MetadataPublished | 2022-01-20 |
Field | Value |
---|---|
Measurement Technique | electrospray ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
DUZPOF | CCDC |
J409.305D | Nikkaji |
CB8219136 | ChemicalBook |
ZINC000002566335 | ZINC |
DTXSID30236754 | EPA CompTox Dashboard |
SCHEMBL2171752 | SureChEMBL |
880-68-2 | ACToR |
37034806 | eMolecules |
2773663 | PubChem |
The data in this table is sourced from UniChem at EBI. |