| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:40 UTC |
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| Update Date | 2025-03-21 18:03:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042507 |
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| Frequency | 93.4 |
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| Structure | |
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| Chemical Formula | C20H25N7O3 |
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| Molecular Mass | 411.2019 |
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| SMILES | CCN(CC)CCOC(=O)c1ccc(NCc2cnc3[nH]c(N)nc(=O)c3n2)cc1 |
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| InChI Key | XHGFBAUUIBBKNE-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 | pterins and derivatives |
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| Direct Parent | pterins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzoic acid estersbenzoyl derivativescarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminesprimary aminespyrazinespyrimidonessecondary alkylarylaminestrialkylaminesvinylogous amides |
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| Substituents | monocyclic benzene moietyamino acid or derivativesbenzoylpyrimidonebenzoate estercarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary aminevinylogous amidepterinazacycleheteroaromatic compoundtertiary aliphatic aminebenzoic acid or derivativessecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrazinecarboxylic acid esterphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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