| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:16 UTC |
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| Update Date | 2025-03-25 00:46:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158588 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11NO3 |
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| Molecular Mass | 229.0739 |
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| SMILES | OC(c1cccnc1)c1ccc2c(c1)OCO2 |
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| InChI Key | WDRLHFPUINFEDD-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 | benzodioxoles |
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| Subclass | benzodioxoles |
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| Direct Parent | benzodioxoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsaromatic alcoholsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholazacycleheteroaromatic compoundhydroxypyridineoxacyclepyridineorganic oxygen compoundacetalaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundbenzodioxole |
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