Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:21:57 UTC |
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Update Date | 2025-03-21 18:37:18 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00115064 |
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Frequency | 22.9 |
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Structure | |
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Chemical Formula | C16H22O10 |
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Molecular Mass | 374.1213 |
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SMILES | COc1cc(C(O)CO)ccc1OC1C(O)C(O)C(O)C(C(=O)O)C1O |
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InChI Key | QBNNOKGWOSVHQN-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 | phenol ethers |
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Subclass | anisoles |
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Direct Parent | anisoles |
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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 derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsprimary alcohols |
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Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxideprimary alcoholalcoholcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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