| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:55 UTC |
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| Update Date | 2025-03-25 00:47:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160002 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H5NO5 |
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| Molecular Mass | 231.0168 |
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| SMILES | O=c1[nH]c2c(c(=O)o1)c(=O)oc1ccccc12 |
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| InChI Key | MDUVINXCTOEPNP-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 | coumarins and derivatives |
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| Subclass | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspyranones and derivativesvinylogous amides |
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| Substituents | vinylogous amidebenzopyrancarbonic acid derivativeazacycle1-benzopyranheteroaromatic compoundcoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranorganonitrogen compoundpyranoneorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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