| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:19 UTC |
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| Update Date | 2025-03-25 00:50:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181530 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO3 |
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| Molecular Mass | 183.0895 |
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| SMILES | O=C(O)CCCC(O)c1cc[nH]c1 |
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| InChI Key | XBKVMVSRPWFVLK-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 heteromonocyclic compounds |
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| Alternative Parents | amino fatty acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
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| Substituents | aromatic alcoholfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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