| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:06:47 UTC |
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| Update Date | 2025-03-24 20:10:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01363406 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C7H8O3 |
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| Molecular Mass | 140.0473 |
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| SMILES | Cc1coc(O)c(C)c1=O |
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| InChI Key | CTKUZQYYHXWDNZ-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 | cyclic ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundsvinylogous acids |
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| Substituents | aromatic heteromonocyclic compoundheteroaromatic compoundcyclic ketoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundpyranonehydrocarbon derivativeorganooxygen compound |
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