| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:26 UTC |
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| Update Date | 2025-03-25 00:54:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209136 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O5 |
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| Molecular Mass | 250.0841 |
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| SMILES | CC1(CC(=O)O)CCc2cccc(C(=O)O)c2O1 |
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| InChI Key | JWWUBYJDBRKPNH-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 | 1-benzopyrans |
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| Direct Parent | 1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersbenzenoidscarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupethercarboxylic acid1-benzopyranalkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundorganooxygen compound |
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