| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:56 UTC |
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| Update Date | 2025-03-25 00:56:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219687 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O4 |
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| Molecular Mass | 236.1049 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)C(C)(O)C(=O)OC2 |
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| InChI Key | VXUQUBMPTSXOGI-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 | benzopyrans |
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| Subclass | 2-benzopyrans |
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| Direct Parent | 2-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | benzenoidscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acid derivativelactoneoxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid ester2-benzopyranhydrocarbon derivativebenzenoidorganooxygen compound |
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