| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:17 UTC |
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| Update Date | 2025-03-21 18:41:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132476 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C16H21N4O8P |
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| Molecular Mass | 428.1097 |
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| SMILES | Cc1cc2nc3c(=O)[nH]nc-3n(CC(O)C(O)C(O)COP(=O)(O)O)c2cc1C |
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| InChI Key | LVKATTBIUOXCPL-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 | diazanaphthalenes |
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| Subclass | benzodiazines |
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| Direct Parent | quinoxalines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazinespyrazolespyrazolo[3,4-b]pyrazinespyrazolonessecondary alcohols |
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| Substituents | lactampyrazolo[3,4-b]pyrazinepyrazoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazolealcoholquinoxalineazacycleheteroaromatic compoundorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundpyrazolinone |
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