| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:26 UTC |
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| Update Date | 2025-03-25 01:01:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250376 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO3 |
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| Molecular Mass | 179.0582 |
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| SMILES | O=C(O)c1c(O)ccc2c1CCN2 |
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| InChI Key | UGHIJAWHDSGIKE-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 |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsamino acidsazacyclic compoundsbenzenoidshydrocarbon derivativesindolesindolinesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundssalicylic acid and derivativessecondary alkylarylaminesvinylogous acids |
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| Substituents | carboxylic acidamino acid or derivativesamino acidindole1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compounddihydroindoleazacyclesecondary aminesecondary aliphatic/aromatic aminehydroxybenzoic acidvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesindolecarboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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