| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:06 UTC |
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| Update Date | 2025-03-25 00:55:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210754 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H35N5O4 |
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| Molecular Mass | 505.2689 |
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| SMILES | C=CCc1c(Cc2[nH]c(CC3NC(=O)C(C)=C3CC)c(C)c2CCC(=O)O)[nH]c(C2=NCC(=O)N2)c1C |
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| InChI Key | QXUKMTXOMBZFKW-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 | azacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolinoneslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolespyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazolinoneorganoheterocyclic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundcarboximidamidecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrroline2-imidazolineimidazolinepyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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