| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:57 UTC |
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| Update Date | 2025-03-25 00:55:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02215083 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H27N5O5 |
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| Molecular Mass | 441.2012 |
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| SMILES | CC1C(Oc2cccc(CC3=Nc4c([nH]c(N)nc4=O)NC3)c2)OC(C(=O)O)C(C)C1C |
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| InChI Key | RTIBGSFHOOJLCQ-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 | acetalsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyran carboxylic acidspyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | phenol etherketiminemonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidiminepyrimidonecarboxylic acid derivativepyran carboxylic acidpyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxanevinylogous amidepterinpyran carboxylic acid or derivativesazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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