| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:47 UTC |
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| Update Date | 2025-03-25 00:50:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178042 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O4 |
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| Molecular Mass | 220.0736 |
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| SMILES | COC(=O)CC1OC(=O)Cc2ccccc21 |
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| InChI Key | ZHYNBPPDHRRMDZ-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 compoundsdicarboxylic acids and derivativeshydrocarbon derivativeslactonesmethyl estersorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupcarboxylic acid derivativelactoneoxacycleorganic oxidemethyl esterorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid ester2-benzopyrandicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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