| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:41 UTC |
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| Update Date | 2025-03-25 00:46:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155101 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O4 |
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| Molecular Mass | 278.1518 |
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| SMILES | Cc1cc(CC2CCC(C)(CCC(=O)O)O2)ccc1O |
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| InChI Key | WLPAGNUZFZXDAZ-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 benzenoidscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofuranstoluenes |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativedialkyl etheroxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundo-cresolhydrocarbon derivativetolueneorganoheterocyclic compoundorganooxygen compound |
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