| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:18 UTC |
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| Update Date | 2025-03-25 00:46:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156474 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H27NO5 |
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| Molecular Mass | 349.1889 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)OC(C)(CCCC(O)=NCC(=O)O)CC2 |
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| InChI Key | PVFWGZJJYJPHMP-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 heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransalkyl aryl ethersbenzenoidscarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboximidic acidcarbonyl groupethercarboxylic acid1-benzopyranalkyl aryl etherpropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundchromaneorganoheterocyclic compoundbenzopyranorganic 1,3-dipolar compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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