| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:29 UTC |
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| Update Date | 2025-03-25 00:47:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159080 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O6 |
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| Molecular Mass | 296.1008 |
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| SMILES | OCC1OC(Oc2ccc3[nH]ncc3c2)C(O)C(O)C1O |
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| InChI Key | BROVZCMVQZBUDD-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 | benzopyrazoles |
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| Subclass | indazoles |
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| Direct Parent | indazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersprimary alcoholspyrazolessecondary alcohols |
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| Substituents | phenol ethermonosaccharidepyrazolesaccharideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholazolealcoholazacycleindazoleheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundbenzopyrazoleorganooxygen compound |
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