| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:53:37 UTC |
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| Update Date | 2025-03-21 20:06:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00328106 |
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| Frequency | 5.9 |
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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 | Cc1coc(=O)cc1O |
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| InChI Key | NQPHVLRDCKUPLN-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 | heteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundsvinylogous acids |
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| Substituents | aromatic heteromonocyclic compoundheteroaromatic compoundlactoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundpyranonehydrocarbon derivativeorganooxygen compound |
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