| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:14 UTC |
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| Update Date | 2025-03-25 00:57:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222708 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10N2O4 |
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| Molecular Mass | 246.0641 |
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| SMILES | O=c1[nH]cc(C2Oc3ccccc3C2O)c(=O)[nH]1 |
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| InChI Key | RLUQAOGTSJWBJL-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 | coumarans |
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| Subclass | coumarans |
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| Direct Parent | coumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholsvinylogous amides |
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| Substituents | alcoholvinylogous amideethercarbonic acid derivativelactamazacycleheteroaromatic compoundpyrimidonealkyl aryl etherpyrimidineoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcoumaranorganooxygen compound |
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