| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:33 UTC |
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| Update Date | 2025-03-25 00:53:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200235 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O5 |
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| Molecular Mass | 198.0528 |
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| SMILES | Cc1occ(CCC(=O)O)c(=O)c1O |
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| InChI Key | CSJPBWGPAAYTNE-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 | pyrans |
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| Subclass | pyranones and derivatives |
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| Direct Parent | pyranones and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidscyclic ketonesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundcyclic ketonecarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyranonehydrocarbon derivativeorganooxygen compound |
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