| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:57 UTC |
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| Update Date | 2025-03-21 18:33:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097943 |
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| Frequency | 28.1 |
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| Structure | |
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| Chemical Formula | C14H13NO4 |
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| Molecular Mass | 259.0845 |
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| SMILES | COc1ccc2[nH]cc(C(=O)C3CCC(=O)O3)c2c1 |
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| InChI Key | JHUZHOAMRTXKFJ-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha-acyloxy ketonesanisolesaryl alkyl ketonesazacyclic compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolestetrahydrofuransvinylogous amides |
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| Substituents | phenol ethercarbonyl groupetheraryl alkyl ketonealpha-acyloxy ketoneindolealkyl aryl ethercarboxylic acid derivativeketonelactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amideazacycletetrahydrofuranheteroaromatic compoundgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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