| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:22 UTC |
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| Update Date | 2025-03-25 00:54:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204395 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO3 |
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| Molecular Mass | 243.0895 |
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| SMILES | OCCc1c[nH]c2c1Cc1cc3c(cc1-2)OCO3 |
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| InChI Key | VGDVNLIJICPODV-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 | benzodioxoles |
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| Subclass | benzodioxoles |
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| Direct Parent | benzodioxoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalcohols and polyolsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrroles |
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| Substituents | alcoholazacycleheteroaromatic compoundoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundbenzodioxole |
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