| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:09 UTC |
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| Update Date | 2025-03-25 01:01:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249751 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22NO8P |
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| Molecular Mass | 387.1083 |
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| SMILES | Cc1cc2c(CC(=O)O)cn(CC(O)C(O)COP(=O)(O)O)c2cc1C |
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| InChI Key | VTDKIFLOUXINMA-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 | n-alkylindoles |
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| Direct Parent | n-alkylindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkyl phosphatesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssubstituted pyrroles |
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| Substituents | carbonyl groupn-alkylindolecarboxylic acidindolesubstituted pyrrolecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2-diolalcoholazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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