| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:47 UTC |
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| Update Date | 2025-03-25 00:58:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230473 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO5 |
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| Molecular Mass | 279.1107 |
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| SMILES | CN1c2ccccc2COC1(CCC(=O)O)CC(=O)O |
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| InChI Key | LOTGRXKLKGOLHO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidazacycleheterocyclic fatty acidfatty acidcarboxylic acid derivativeamino fatty acidmedium-chain hydroxy acidoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidbenzenoidorganic nitrogen compounddialkylarylamineorganoheterocyclic compoundorganooxygen compound |
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