| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:24 UTC |
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| Update Date | 2025-03-25 00:46:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156705 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O5 |
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| Molecular Mass | 236.0685 |
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| SMILES | O=C1CCC(c2ccc(O)cc2)C(C(=O)O)O1 |
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| InChI Key | RJKBYEYMKGHQPM-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 | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdelta valerolactonesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidpyran carboxylic acid or derivativesaromatic heteromonocyclic compounddelta valerolactone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidoxanedelta_valerolactoneorganooxygen compound |
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