| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:46 UTC |
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| Update Date | 2025-03-21 18:32:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092644 |
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| Frequency | 30.2 |
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| Structure | |
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| Chemical Formula | C14H14O4 |
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| Molecular Mass | 246.0892 |
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| SMILES | COc1cc2ccc(C(C)C(=O)O)cc2cc1O |
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| InChI Key | MVBJCBYSZSPFNN-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 benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundalkyl aryl ethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivative2-naphtholorganooxygen compound |
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