| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:14 UTC |
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| Update Date | 2025-03-21 18:03:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043921 |
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| Frequency | 77.2 |
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| Structure | |
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| Chemical Formula | C9H12O2 |
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| Molecular Mass | 152.0837 |
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| SMILES | COCOCc1ccccc1 |
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| InChI Key | PVWXHEMUPZXLKS-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 | acetalshydrocarbon derivativesorganooxygen compounds |
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| Substituents | aromatic homomonocyclic compoundmonocyclic benzene moietyorganic oxygen compoundacetalhydrocarbon derivativeorganooxygen compound |
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