| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:27 UTC |
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| Update Date | 2025-03-25 00:52:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190889 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H26N2O6 |
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| Molecular Mass | 414.1791 |
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| SMILES | C=CC1=C(C)C(=O)NC1=Cc1[nH]c(C(=O)CCC(=O)O)c(CCCCC(=O)O)c1C |
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| InChI Key | BTLYVDZYSKKQAP-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 | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino fatty acidsaryl alkyl ketonesazacyclic compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundheterocyclic fatty acidcarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundcarboxamide groupamino fatty acidgamma-keto acidsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaryl ketonemedium-chain keto acid |
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