| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:12 UTC |
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| Update Date | 2025-03-25 00:50:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183486 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N2O7 |
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| Molecular Mass | 310.0801 |
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| SMILES | O=C(O)c1ccc2c(ncn2C2OC(CO)C(O)C2O)c1O |
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| InChI Key | BBACLQITTRTGTL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | benzimidazole ribonucleosides and ribonucleotides |
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| Subclass | benzimidazole ribonucleosides and ribonucleotides |
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| Direct Parent | benzimidazole ribonucleosides and ribonucleotides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzenoidsbenzimidazolesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssalicylic acid and derivativessecondary alcoholstetrahydrofuransvinylogous acids |
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| Substituents | carboxylic acidmonosaccharidecarboxylic acid derivativesaccharideorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycle1-ribofuranosylbenzimidazoletetrahydrofuranheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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