| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:26 UTC |
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| Update Date | 2025-03-21 18:40:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130467 |
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| Frequency | 19.4 |
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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)c1ccc2ccc(O)cc2c1 |
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| InChI Key | CODQCEABGOPIDB-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 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 acidcarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivative2-naphtholorganooxygen compound |
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