| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:49 UTC |
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| Update Date | 2025-03-25 00:51:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187229 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H24N6O5 |
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| Molecular Mass | 416.1808 |
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| SMILES | CC(=O)OC1C(=O)N(CCN(C)C)c2c([nH]c(N)nc2=O)NC1c1ccc(O)cc1 |
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| InChI Key | MAXIBUGRVXBIGW-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 | pyrimidodiazepines |
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| Subclass | pyrimidodiazepines |
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| Direct Parent | pyrimidodiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-diazepines1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativesbeta amino acids and derivativescarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonessecondary alkylarylaminestertiary carboxylic acid amidestrialkylaminesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamamino acid or derivatives1-hydroxy-2-unsubstituted benzenoidpyrimidonecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpyrimidodiazepinetertiary aminevinylogous amideazacycleheteroaromatic compoundtertiary aliphatic aminesecondary aminecarboxamide groupbeta amino acid or derivativessecondary aliphatic/aromatic aminemonocarboxylic acid or derivativespara-diazepineorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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