| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:37 UTC |
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| Update Date | 2025-03-25 00:46:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157156 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O5 |
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| Molecular Mass | 266.0903 |
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| SMILES | O=C=C(CCn1c(C=O)ccc1CO)NCC(=O)O |
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| InChI Key | UCCCFEQOJBEKCD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaromatic alcoholsaryl-aldehydesazacyclic compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssubstituted pyrrolesynolates |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidsubstituted pyrroleorganic oxidearyl-aldehydeorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholsecondary aliphatic amineazacycleheteroaromatic compoundaldehydesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundynolatepyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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