| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:47 UTC |
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| Update Date | 2025-03-25 00:59:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237368 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N3O9 |
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| Molecular Mass | 371.0965 |
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| SMILES | O=C(Cc1c[nH]c2c(=O)[nH]c(=O)[nH]c12)OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | PBVONDAJIFGVOB-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 | pyrrolopyrimidines |
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| Subclass | pyrrolopyrimidines |
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| Direct Parent | pyrrolopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsazacyclic compoundscarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrimidonespyrrolessecondary alcoholsvinylogous amides |
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| Substituents | carbonyl grouplactammonosaccharidepyrimidonecarboxylic acid derivativepyrimidinepyrrolopyrimidinesaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholalcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolecarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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