| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:37 UTC |
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| Update Date | 2025-03-25 00:48:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170694 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO2 |
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| Molecular Mass | 203.0946 |
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| SMILES | COC(=O)c1[nH]c2cccc(C)c2c1C |
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| InChI Key | RUNHSSVDJFVWEB-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 | indolecarboxylic acids and derivatives |
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| Direct Parent | indolecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 3-methylindolesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivatives |
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| Substituents | 3-methylindoleindolecarboxylic acid derivativeazacycleindoleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundpyrrolecarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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