| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:48 UTC |
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| Update Date | 2025-03-25 00:56:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219375 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18O12 |
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| Molecular Mass | 402.0798 |
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| SMILES | COc1cc(C(O)C(=O)O)ccc1OC1OC(C(=O)O)C(O)C(O)C1C(=O)O |
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| InChI Key | GROPPYBFVVNDSP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersalpha hydroxy acids and derivativesanisolesaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidmonosaccharidetricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetaloxanealcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacycleorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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