| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:45 UTC |
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| Update Date | 2025-03-25 00:56:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219283 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O8 |
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| Molecular Mass | 342.1315 |
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| SMILES | COCCc1ccc(OCC2OC(O)(C(=O)O)CC(O)C2O)cc1 |
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| InChI Key | JNBICYVUMVHXMZ-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 | phenols |
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| Subclass | tyrosols and derivatives |
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| Direct Parent | tyrosols and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl ethersalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic aciddialkyl ethersaccharideorganic oxidehemiacetaltyrosol derivativeoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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