Dataset
Valaciclovir
Chemical Info
InChI | InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20) |
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SMILES | CC(C)C(C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N |
InChI Key | HDOVUKNUBWVHOX-UHFFFAOYSA-N |
Molecular Formula | C13H20N6O4 |
Exact Mass | 324.155 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01100303 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2025-02-09T09:27:26.372529 |
MetadataModified | 2025-02-09T09:27:26.566505 |
MetadataPublished | 2024-06-14 |
Related Molecule |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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CHEMBL1619309 | ChEMBL |
HMDB0259521 | Human Metabolome Database |
J480.130J | Nikkaji |
135483437 | PubChem |
SCHEMBL4295083 | SureChEMBL |
PD074812 | ProbesDrugs |
The data in this table is sourced from UniChem at EBI. |