| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:46 UTC |
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| Update Date | 2025-03-21 17:58:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017024 |
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| Frequency | 249.3 |
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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 | OCCC(O)c1cccc(O)c1 |
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| InChI Key | KOQQKWPFOARFDU-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsbenzene and substituted derivativeshydrocarbon derivativessecondary alcohols |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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