| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:37 UTC |
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| Update Date | 2025-03-21 18:33:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094685 |
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| Frequency | 29.4 |
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| Structure | |
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| Chemical Formula | C16H21N3O3 |
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| Molecular Mass | 303.1583 |
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| SMILES | CC(C)CC1N=C(O)N=C(O)C(Cc2ccccc2)N=C1O |
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| InChI Key | XRUXLOVTVYCRQC-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 | cyclic peptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativescyclic carboximidic acidshydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundazacycleorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundcyclic alpha peptideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganoheterocyclic compoundorganooxygen compound |
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