| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:25 UTC |
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| Update Date | 2025-03-25 00:49:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172535 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H36N2O7 |
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| Molecular Mass | 464.2523 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1c(C)c(CCC(=O)O)c(C)n1CCC(O)CC(O)CC(=O)O |
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| InChI Key | OAMHYYZGHVJTCM-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 acidsdicarboxylic acids and derivativesfatty acylsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidslactamsmedium-chain fatty acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolinessecondary alcoholssecondary carboxylic acid amidessubstituted pyrroles |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidsubstituted pyrrolecarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundcarboxamide groupamino fatty acidsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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