| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:54 UTC |
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| Update Date | 2025-03-25 01:01:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251468 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O7 |
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| Molecular Mass | 312.0958 |
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| SMILES | OCC1OC(Oc2cc(O)nc3[nH]ccc23)C(O)C(O)C1O |
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| InChI Key | IYVHMQUBAZZBOB-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 | pyrrolopyridines |
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| Subclass | pyrrolopyridines |
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| Direct Parent | pyrrolopyridines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesacetalsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinesprimary alcoholspyrrolessecondary alcohols |
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| Substituents | polyhalopyridinemonosaccharidesaccharideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineoxaneprimary alcoholalcoholazacyclepyrrolopyridineheteroaromatic compoundhydroxypyridineoxacyclepyridineorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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