| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:21 UTC |
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| Update Date | 2025-03-21 18:38:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118503 |
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| Frequency | 22.0 |
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| Structure | |
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| Chemical Formula | C29H40N4O5 |
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| Molecular Mass | 524.2999 |
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| SMILES | CCC1=C(C)NC1Cc1[nH]c(Cc2[nH]c(CC3CCC(=O)N3)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | JJRLQQPMERDYTJ-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 | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundspyrrolespyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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