| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:55 UTC |
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| Update Date | 2025-03-25 00:46:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153285 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18N3O2+ |
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| Molecular Mass | 296.1394 |
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| SMILES | COc1ccc2[nH]cc(CC[n+]3cccc(C(N)=O)c3)c2c1 |
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| InChI Key | FLFLWBFDUIXKEV-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyridinecarboxylic acids and derivativespyrrolesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesphenol etheretherindolenicotinamidealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganic cationvinylogous amideazacycleheteroaromatic compoundmethylpyridinecarboxamide grouppyridineorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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