| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:32 UTC |
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| Update Date | 2025-03-25 00:50:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179721 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15NO4 |
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| Molecular Mass | 261.1001 |
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| SMILES | COc1ccc2[nH]cc(C3CCC(C(=O)O)O3)c2c1 |
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| InChI Key | YSKMRGIXDZLVSN-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 ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolestetrahydrofurans |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidindolealkyl aryl ethercarboxylic acid derivativedialkyl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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