| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:27 UTC |
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| Update Date | 2025-03-25 00:56:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220924 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO3 |
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| Molecular Mass | 193.0739 |
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| SMILES | O=C1CCC(c2cccnc2)C(O)O1 |
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| InChI Key | GXWQXNXDUDVWLA-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 | lactones |
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| Subclass | delta valerolactones |
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| Direct Parent | delta valerolactones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acid estershemiacetalsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanes |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacycledelta valerolactoneheteroaromatic compoundhydroxypyridinecarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhemiacetalhydrocarbon derivativeorganic nitrogen compoundoxanedelta_valerolactoneorganooxygen compound |
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