| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:57 UTC |
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| Update Date | 2025-03-25 00:46:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157901 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H11O4+ |
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| Molecular Mass | 279.0652 |
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| SMILES | O=C(O)c1cc(-c2ccccc2)[o+]c2ccccc2c1=O |
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| InChI Key | SNCSQVBMIKVLLI-UHFFFAOYSA-O |
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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 | benzoxepines |
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| Subclass | benzoxepines |
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| Direct Parent | benzoxepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganooxygen compoundsoxacyclic compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidbenzoxepineheteroaromatic compoundcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganic cationorganooxygen compound |
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