| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:55 UTC |
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| Update Date | 2025-03-25 00:53:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203314 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O6 |
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| Molecular Mass | 304.0947 |
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| SMILES | O=C(O)C1OCC(Oc2cccc3ccccc23)C(O)C1O |
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| InChI Key | NAYNUQRLXYGRKP-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 | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic aciddialkyl etherbeta-hydroxy acidsaccharideorganic oxidearomatic heteropolycyclic compoundoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativeorganooxygen compound |
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