| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:38 UTC |
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| Update Date | 2025-03-21 18:29:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075640 |
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| Frequency | 49.9 |
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| Structure | |
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| Chemical Formula | C15H16N2O3 |
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| Molecular Mass | 272.1161 |
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| SMILES | O=C1OCC(Cc2cnc[nH]2)C1Cc1cccc(O)c1 |
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| InChI Key | HBRRSSVJJVBVLU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazoleazacycletetrahydrofuranheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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