| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:27 UTC |
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| Update Date | 2025-03-25 00:50:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179521 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16NO4+ |
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| Molecular Mass | 298.1074 |
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| SMILES | COc1ccc2c(c[n+](C)c3cc4c(cc23)OCO4)c1OC |
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| InChI Key | SJTFOOQGZRIRGL-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 | quinolines and derivatives |
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| Subclass | benzoquinolines |
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| Direct Parent | phenanthridines and derivatives |
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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 cationbenzodioxoleazacycleheteroaromatic compoundmethylpyridineoxacyclepyridineorganic oxygen compoundanisoleisoquinolinehydrocarbon derivativebenzenoidphenanthridineorganic nitrogen compoundorganooxygen compound |
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