| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:24 UTC |
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| Update Date | 2025-03-25 00:52:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193000 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22O5 |
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| Molecular Mass | 318.1467 |
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| SMILES | CCCC(O)C=CC(=O)CC(=O)C=Cc1ccc(O)c(OC)c1 |
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| InChI Key | VOTCSRXKXLHNAV-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 | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacryloyl compoundsalkyl aryl ethersanisolesenonesfatty alcoholshydrocarbon derivativesketonesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha,beta-unsaturated ketoneketoneorganic oxidefatty alcoholenonealcoholmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compound |
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