| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:16:01 UTC |
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| Update Date | 2025-03-21 19:08:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00241349 |
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| Frequency | 8.8 |
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| Structure | |
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| Chemical Formula | C6H6O3 |
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| Molecular Mass | 126.0317 |
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| SMILES | COc1cc(=O)cco1 |
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| InChI Key | CQUVDLZCHKUKHF-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 | alkyl aryl etherscyclic ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesoxacyclic compoundsvinylogous esters |
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| Substituents | etheraromatic heteromonocyclic compoundvinylogous esterheteroaromatic compoundcyclic ketonealkyl aryl etheroxacycleorganic oxideorganic oxygen compoundpyranonehydrocarbon derivativeorganooxygen compound |
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