| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:45 UTC |
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| Update Date | 2025-03-25 00:54:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207537 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O4 |
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| Molecular Mass | 246.0892 |
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| SMILES | O=C(C=Cc1ccccc1)OC1CCC(=O)OC1 |
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| InChI Key | VCCLFCFKGBLEDA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundsdelta valerolactonesdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanes |
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| Substituents | enoate esterfatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compounddelta valerolactonecarboxylic acid derivativelactoneoxacyclealpha,beta-unsaturated carboxylic esterfatty acid estercinnamic acid or derivativesorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidoxanedelta_valerolactoneorganoheterocyclic compoundorganooxygen compound |
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