| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:53 UTC |
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| Update Date | 2025-03-21 18:33:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097804 |
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| Frequency | 28.2 |
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| Structure | |
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| Chemical Formula | C18H20N4O6 |
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| Molecular Mass | 388.1383 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)CCC(=O)O)c2cc1C |
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| InChI Key | YVRCTKYPSJFKTP-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 | pteridines and derivatives |
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| Subclass | alloxazines and isoalloxazines |
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| Direct Parent | flavins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsamino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthalenesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidslactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazinespyrimidonesquinoxalinessecondary alcohols |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidheterocyclic fatty acidfatty acidpyrimidonecarboxylic acid derivativemedium-chain hydroxy acidflavinpyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acid1,2-diolalcoholquinoxalinecarbonic acid derivativeazacycleheteroaromatic compoundamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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