| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:08 UTC |
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| Update Date | 2025-03-25 01:01:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247449 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H29N3O5 |
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| Molecular Mass | 355.2107 |
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| SMILES | CC(C)c1nn(CCC(O)CC(O)CC(=O)O)c(C(C)C)c1C(N)=O |
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| InChI Key | HVKGOMNYPFYPMB-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 acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrazolessecondary alcoholsvinylogous amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidpyrazolebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundazolealcoholvinylogous amideazacycleheteroaromatic compoundcarboxamide groupamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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