| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:32 UTC |
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| Update Date | 2025-03-21 18:41:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135244 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C14H18NO9P |
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| Molecular Mass | 375.0719 |
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| SMILES | O=C(O)c1cn(CC(O)C(O)C(O)COP(=O)(O)O)c2ccccc12 |
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| InChI Key | XBVBAYNBKOOYJN-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-carboxy-2-haloaromatic compoundsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkyl phosphatesmonocarboxylic acids and derivativesn-alkylindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acidssecondary alcoholssubstituted pyrrolesvinylogous amides |
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| Substituents | n-alkylindolecarboxylic acidpyrrole-3-carboxylic acid or derivativesindolesubstituted pyrrolecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundindolecarboxylic acid derivativealcoholvinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrole-3-carboxylic acidorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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