| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:43 UTC |
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| Update Date | 2025-03-21 18:29:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078322 |
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| Frequency | 37.4 |
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| Structure | |
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| Chemical Formula | C16H20O10 |
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| Molecular Mass | 372.1056 |
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| SMILES | O=C(O)CCc1ccc(O)c(OC2C(O)C(O)C(O)C(O)C2C(=O)O)c1 |
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| InChI Key | ZZSPDMOWSIOULQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidealcoholcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholaromatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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