| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:57 UTC |
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| Update Date | 2025-03-25 00:50:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182966 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H11O7+ |
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| Molecular Mass | 315.0499 |
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| SMILES | O=c1cc(O)c(-c2ccc(O)c(O)c2)[o+]c2c(O)c(O)ccc12 |
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| InChI Key | PVYKRCSRIXOTSW-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganooxygen compoundsoxacyclic compoundsvinylogous acids |
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| Substituents | monocyclic benzene moietybenzoxepineheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidorganic cationorganooxygen compound |
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