| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:57 UTC |
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| Update Date | 2025-03-25 00:53:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201181 |
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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 | COc1cc(C=C2CCCOC2=O)ccc1O |
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| InChI Key | BHROWVAAUNKQFL-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 | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundsdelta valerolactonesenoate estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compounddelta valerolactone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic esterorganic oxideoxanedelta_valerolactoneorganoheterocyclic compoundenoate estermethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
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