| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:51 UTC |
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| Update Date | 2025-03-21 18:41:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135985 |
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| Frequency | 18.4 |
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| Structure | |
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| Chemical Formula | C13H12O4 |
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| Molecular Mass | 232.0736 |
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| SMILES | O=C(O)CC(O)c1cc(O)c2ccccc2c1 |
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| InChI Key | CLUBBBJFMMDXFK-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 | naphthalenes |
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| Subclass | naphthols and derivatives |
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| Direct Parent | naphthols and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivative1-naphtholorganooxygen compound |
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