| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:50 UTC |
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| Update Date | 2025-03-21 18:32:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092808 |
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| Frequency | 30.1 |
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| Structure | |
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| Chemical Formula | C9H7NO2 |
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| Molecular Mass | 161.0477 |
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| SMILES | c1cc2cc3c(cc2[nH]1)OCO3 |
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| InChI Key | HXCHORPNRVSDCD-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 | acetalsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspyrroles |
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| Substituents | azacycleindoleheteroaromatic compoundindole or derivativesoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundbenzodioxole |
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