| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:57 UTC |
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| Update Date | 2025-03-21 18:28:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071596 |
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| Frequency | 41.9 |
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| Structure | |
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| Chemical Formula | C20H20N2O4+2 |
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| Molecular Mass | 352.1412 |
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| SMILES | COc1ccc2c[n+]3[n+](cc2c1OC)CCc1cc2c(cc1C3)OCO2 |
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| InChI Key | CNJQHCHJDDFQKS-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 | diazanaphthalenes |
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| Subclass | benzodiazines |
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| Direct Parent | phthalazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolesazacyclic compoundsbenzodioxolesdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyridazines and derivatives |
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| Substituents | phenol etheretherazacycleheteroaromatic compoundalkyl aryl etheroxacyclephthalazineorganic oxygen compoundacetalaromatic heteropolycyclic compoundanisolepyridazineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganooxygen compoundbenzodioxole |
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