| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:41 UTC |
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| Update Date | 2025-03-25 01:00:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241670 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20N2O7 |
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| Molecular Mass | 328.1271 |
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| SMILES | CC(OCC1OC(N2C=CCC(C(N)=O)=C2)C(O)C1O)C(=O)O |
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| InChI Key | LSYJOWZVDJIHEU-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 | pyridinecarboxylic acids and derivatives |
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| Direct Parent | n-substituted nicotinamides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkyl ethersdihydropyridinesenamineshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupethercarboxylic acidmonosaccharidecarboxylic acid derivativedialkyl ethersaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridine1,2-diolalcoholvinylogous amideazacycletetrahydrofurancarboxamide groupn-substituted nicotinamideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundenamine |
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