| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:52 UTC |
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| Update Date | 2025-03-21 18:38:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119683 |
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| Frequency | 21.8 |
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| Structure | |
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| Chemical Formula | C20H16NO4+ |
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| Molecular Mass | 334.1074 |
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| SMILES | COc1ccc2cc3c4cc5c(cc4cc[n+]3cc2c1OC)OCO5 |
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| InChI Key | MCEWCIREWDZENW-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 | quinolizines |
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| Subclass | quinolizines |
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| Direct Parent | quinolizines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesacetalsalkyl aryl ethersanisolesazacyclic compoundsbenzodioxolesheteroaromatic compoundshydrocarbon derivativesisoquinolines and derivativesmethylpyridinesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridines |
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| Substituents | phenol etheretherpolyhalopyridinealkyl aryl etheracetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationbenzodioxolequinolizineazacycleheteroaromatic compoundmethylpyridineoxacyclepyridineorganic oxygen compoundanisoleisoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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