| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:44 UTC |
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| Update Date | 2025-03-25 00:50:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182489 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO6 |
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| Molecular Mass | 271.1056 |
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| SMILES | O=Cc1ccc(CO)n1CCCC(O)C(O)C(=O)O |
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| InChI Key | ZKDNQLMKXCEDHB-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 compoundsbeta hydroxy acids and derivativescarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssubstituted pyrroles |
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| Substituents | aromatic alcoholfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidalpha-hydroxy acidmonosaccharidefatty acidsubstituted pyrrolecarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidsaccharideorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundaldehydeamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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