| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:44 UTC |
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| Update Date | 2025-03-25 00:46:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157432 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H21NO6 |
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| Molecular Mass | 347.1369 |
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| SMILES | O=C(O)CCCc1c(CCC(=O)O)c(CCC(=O)O)n2ccccc12 |
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| InChI Key | BRAZOFWONVRHSH-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 | pyrrolopyridines |
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| Subclass | indolizines |
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| Direct Parent | indolizines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundhydroxypyridinetricarboxylic acid or derivativescarboxylic acid derivativeorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundindolizineorganooxygen compound |
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