| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:49 UTC |
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| Update Date | 2025-03-25 00:53:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203084 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO3 |
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| Molecular Mass | 207.0895 |
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| SMILES | O=C1CCC(C(O)c2cccnc2)CO1 |
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| InChI Key | ODIYHAVMTIOHJN-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 | aromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | aromatic alcoholcarbonyl grouparomatic heteromonocyclic compounddelta valerolactonecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundoxanedelta_valerolactonealcoholazacycleheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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