| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:48 UTC |
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| Update Date | 2025-03-25 00:53:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200813 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H9NO3 |
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| Molecular Mass | 227.0582 |
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| SMILES | COc1ccc2c(=O)oc3ncccc3c2c1 |
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| InChI Key | KKHYDBOLQHVULK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | isocoumarins and derivatives |
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| Subclass | isocoumarins and derivatives |
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| Direct Parent | isocoumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-benzopyrans2-halopyridinesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactonesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyranones and derivativespyranopyridines |
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| Substituents | phenol etheretherpolyhalopyridinealkyl aryl etherlactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyranoneorganopnictogen compound2-halopyridineorganoheterocyclic compoundbenzopyranazacycleheteroaromatic compoundmethylpyridineisocoumarinoxacyclepyridineorganic oxygen compoundpyrananisole2-benzopyranhydrocarbon derivativebenzenoidorganic nitrogen compoundpyranopyridineorganooxygen compound |
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