| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:14 UTC |
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| Update Date | 2025-03-25 00:53:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201804 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O3 |
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| Molecular Mass | 192.0786 |
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| SMILES | Cc1ccc(C2CCC(=O)O2)cc1O |
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| InChI Key | IYLGHDLLPHMVPR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | cresols |
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| Direct Parent | ortho cresols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofuranstoluenes |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estero-cresolhydrocarbon derivativetolueneorganoheterocyclic compoundorganooxygen compound |
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