| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:56 UTC |
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| Update Date | 2025-03-21 17:57:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010666 |
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| Frequency | 439.4 |
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| Structure | |
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| Chemical Formula | C9H12O3 |
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| Molecular Mass | 168.0786 |
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| SMILES | OCC(O)C(O)c1ccccc1 |
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| InChI Key | CCFAGRVEHSCROQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic alcoholshydrocarbon derivativesprimary alcoholssecondary alcohols |
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| Substituents | aromatic alcoholalcoholaromatic homomonocyclic compoundmonocyclic benzene moietyorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound |
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