| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:08 UTC |
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| Update Date | 2025-03-25 00:55:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213260 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H21NO3 |
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| Molecular Mass | 227.1521 |
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| SMILES | CN1C2CCC1C(CCCCC(=O)O)C2O |
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| InChI Key | IETDMQHLHQZAIG-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 | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsamino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidscyclic alcohols and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundssecondary alcoholstrialkylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidpyrrolidinetertiary amineorganoheterocyclic compoundalcoholazacyclen-alkylpyrrolidine1,2-aminoalcoholtertiary aliphatic aminecyclic alcoholamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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