| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:21 UTC |
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| Update Date | 2025-03-25 01:01:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250216 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H6INO3 |
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| Molecular Mass | 302.9392 |
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| SMILES | O=C(O)c1cc2cc(O)cc(I)c2[nH]1 |
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| InChI Key | MQTZIQYSNKJGHW-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 | 1-hydroxy-2-unsubstituted benzenoidsaryl iodidesazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesm-iodophenolsmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivatives |
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| Substituents | carboxylic acidindole1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundorganoiodideorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundindolecarboxylic acid derivativeazacycleheteroaromatic compoundaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compound3-iodophenolorganooxygen compound |
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