| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:45 UTC |
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| Update Date | 2025-03-25 00:56:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221619 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O7 |
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| Molecular Mass | 242.0427 |
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| SMILES | O=C(O)CC(O)CC(=O)c1ccc(C(=O)O)o1 |
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| InChI Key | RPDDDCSKPXBGLU-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 | aryl alkyl ketonesbeta hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidsdicarboxylic acids and derivativesfuroic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | fatty acylfuranbeta-hydroxy ketonecarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidketonebeta-hydroxy acidorganic oxidemedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholfuroic acid or derivativesheteroaromatic compoundfuroic acidoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundaryl ketone |
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