| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:08 UTC |
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| Update Date | 2025-03-25 00:53:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201563 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N2O2 |
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| Molecular Mass | 224.1525 |
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| SMILES | Cc1cc(C(=O)O)c(C)n1CCCN(C)C |
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| InChI Key | OFYVITCMZWIBCL-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 carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundssubstituted pyrrolestrialkylaminesvinylogous amides |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidsubstituted pyrrolecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminevinylogous amideazacycleheteroaromatic compoundtertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrole-3-carboxylic acidamineorganooxygen compound |
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