| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:07 UTC |
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| Update Date | 2025-03-21 17:59:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022287 |
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| Frequency | 178.2 |
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| Structure | |
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| Chemical Formula | C13H13NO3 |
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| Molecular Mass | 231.0895 |
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| SMILES | O=C1CCC(Cc2c[nH]c3ccc(O)cc23)O1 |
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| InChI Key | RSGHGLOBVKYCCN-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 | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolestetrahydrofurans |
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| Substituents | carbonyl groupindole1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacycletetrahydrofuranheteroaromatic compoundgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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