| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:07 UTC |
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| Update Date | 2025-03-25 00:54:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208395 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H20N2O4 |
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| Molecular Mass | 364.1423 |
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| SMILES | CC(C)c1c(C(=O)O)[nH]c(-c2ccccc2)c1C(O)=Nc1ccccc1O |
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| InChI Key | IZVSESOYWDYPLJ-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 | pyrroles |
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| Subclass | pyrrole carboxylic acids and derivatives |
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| Direct Parent | pyrrole 2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativescarboximidic acidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrole carboxylic acids and derivatives |
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| Substituents | carboximidic acidmonocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidepyrrole-2-carboxylic acidorganonitrogen compoundorganopnictogen compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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