| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:37 UTC |
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| Update Date | 2025-03-25 00:54:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209597 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO5 |
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| Molecular Mass | 269.1263 |
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| SMILES | CC(O)(CCCCn1c(C=O)ccc1CO)C(=O)O |
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| InChI Key | RTAPRIAUKNMEJP-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 | alpha hydroxy acids and derivativesamino fatty acidsaromatic alcoholsaryl-aldehydesazacyclic compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrrolestertiary alcohols |
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| Substituents | aromatic alcoholfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidalpha-hydroxy acidfatty acidsubstituted pyrrolecarboxylic acid derivativemedium-chain hydroxy acidorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholmethyl-branched fatty acidazacycleheteroaromatic compoundaldehydeamino fatty acidbranched fatty acidtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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