| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:03 UTC |
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| Update Date | 2025-03-25 00:52:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196703 |
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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 | CCC(O)c1ccc(OC2C(O)C(O)C(O)C(O)C2C(=O)O)cc1 |
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| InChI Key | MOFQGJARMGLJJJ-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 | benzene and substituted derivatives |
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| Subclass | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | aromatic alcoholphenol ethercarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativephenylpropanebeta-hydroxy acidorganic oxidealcoholcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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