| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:00 UTC |
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| Update Date | 2025-03-25 00:55:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02212950 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H31N3O5 |
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| Molecular Mass | 477.2264 |
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| SMILES | C=CC1=C(C)C(=O)NC1=Cc1[nH]c(C=C2C=C(C)C(CCC(=O)O)=C(C)N2)c(CCC(=O)O)c1C |
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| InChI Key | HGIBTAYXQKZUTG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | hydropyridines |
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| Direct Parent | dihydropyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compounddihydropyridinesecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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