| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:10 UTC |
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| Update Date | 2025-03-25 00:50:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181193 |
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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 | O=C(O)CC(O)c1ccc2cccccc1-2 |
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| InChI Key | UIIZAPMGQRYVDE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | hydrocarbons |
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| Class | unsaturated hydrocarbons |
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| Subclass | olefins |
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| Direct Parent | azulenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | aromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholcarbonyl groupazulenecarboxylic acidaromatic homopolycyclic compoundhydroxy acidcarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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