| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:41 UTC |
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| Update Date | 2025-03-25 00:46:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155116 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O3 |
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| Molecular Mass | 220.0848 |
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| SMILES | Cc1cc(C)n(Cc2ccc(C(=O)O)o2)n1 |
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| InChI Key | BPVDCRCAORFYHG-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 | furans |
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| Subclass | furoic acid and derivatives |
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| Direct Parent | furoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspyrazoles |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativefuroic acidpyrazoleoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazole |
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