| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:03 UTC |
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| Update Date | 2025-03-25 00:54:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203647 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12O6 |
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| Molecular Mass | 276.0634 |
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| SMILES | O=C(O)CCc1cc(=O)c(O)c(-c2ccc(O)cc2)o1 |
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| InChI Key | VKCISZVCVGCHPE-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 | 1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidscyclic ketonesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidcyclic ketonecarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyranonephenolhydrocarbon derivativebenzenoidorganooxygen compound |
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