| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:01 UTC |
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| Update Date | 2025-03-25 00:46:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153526 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H16O6 |
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| Molecular Mass | 328.0947 |
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| SMILES | COc1ccc(C=CC(=O)Oc2ccc(C(=O)O)cc2OC)cc1 |
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| InChI Key | VSGGOARGDJQOMQ-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 homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesorganic oxidesphenol estersphenoxy compounds |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxidebenzoic acidm-methoxybenzoic acid or derivativesenoate esterbenzoic acid or derivativesmethoxybenzenearomatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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