| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:28:00 UTC |
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| Update Date | 2025-03-24 22:13:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01125366 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C6H6O4 |
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| Molecular Mass | 142.0266 |
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| SMILES | COc1c(O)occc1=O |
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| InChI Key | SADCHGZHGOYBJQ-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 acids |
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| Substituents | etheraromatic heteromonocyclic compoundheteroaromatic compoundcyclic ketonealkyl aryl etheroxacyclevinylogous acidorganic oxideorganic oxygen compoundpyranonehydrocarbon derivativeorganooxygen compound |
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