| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:33 UTC |
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| Update Date | 2025-03-25 00:46:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157023 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H7NO2 |
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| Molecular Mass | 173.0477 |
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| SMILES | O=C1OCc2cc3cc[nH]c3cc21 |
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| InChI Key | XXVIPOPFVMBFFS-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 | isocoumarans |
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| Subclass | isobenzofuranones |
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| Direct Parent | phthalides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesindoleslactonesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspyrroles |
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| Substituents | azacycleindoleheteroaromatic compoundindole or derivativescarboxylic acid derivativephthalidelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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