| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:57 UTC |
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| Update Date | 2025-03-25 00:57:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222072 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO2 |
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| Molecular Mass | 203.0946 |
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| SMILES | c1c2c(cc3c1OCO3)N1CCCC1C2 |
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| InChI Key | TWRUFGSGJGETRP-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 compoundsbenzenoidsdialkylarylamineshydrocarbon derivativesindolesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolidines |
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| Substituents | azacycleindoleindole or derivativesoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compounddialkylarylaminepyrrolidineaminetertiary amineorganooxygen compoundbenzodioxole |
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