| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:25 UTC |
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| Update Date | 2025-03-25 00:50:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179454 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O4 |
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| Molecular Mass | 234.0892 |
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| SMILES | COc1cccc(CC2COC(=O)CC2=O)c1 |
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| InChI Key | IXDVBVHITGZXMW-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarboxylic acid esterscyclic ketonesdelta valerolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compounddelta valerolactonecyclic ketonealkyl aryl ethercarboxylic acid derivativeketonelactoneorganic oxideoxanedelta_valerolactoneorganoheterocyclic compoundmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
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