| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:45 UTC |
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| Update Date | 2025-03-25 00:53:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200703 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H15N2O3+ |
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| Molecular Mass | 307.1077 |
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| SMILES | COc1ccc2c[n+]3c(nc2c1)-c1cc2c(cc1CC3)OCO2 |
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| InChI Key | NNKVSSQYIHWPJI-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 | pyridopyrimidines |
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| Subclass | pyridopyrimidines |
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| Direct Parent | pyridopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolesazacyclic compoundsbenzodioxolesdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyridines and derivativespyrimidines and pyrimidine derivativesquinazolines |
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| Substituents | phenol etheretheralkyl aryl etherpyrimidineacetaldiazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compoundorganic cationbenzodioxoleazacycleheteroaromatic compoundoxacyclepyridineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolineorganooxygen compound |
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