| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:58 UTC |
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| Update Date | 2025-03-25 00:58:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233201 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O3 |
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| Molecular Mass | 216.0786 |
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| SMILES | COc1cc2c(CC=O)cccc2cc1O |
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| InChI Key | PHURMAQCUWNJLK-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 ethersalpha-hydrogen aldehydesanisoleshydrocarbon derivativesorganic oxidesphenylacetaldehydes |
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| Substituents | phenol ethercarbonyl groupether1-hydroxy-2-unsubstituted benzenoidaldehydearomatic homopolycyclic compoundalkyl aryl etherorganic oxideorganic oxygen compoundalpha-hydrogen aldehydeanisolehydrocarbon derivative2-naphtholorganooxygen compoundphenylacetaldehyde |
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