| 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 | DMID02153523 |
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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)Oc2ccccc2C(=O)O)cc1OC |
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| InChI Key | IMZBIJKFIZNPBH-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | acylsalicylic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarbonyl compoundscinnamic acids and derivativesdicarboxylic acids and derivativesdimethoxybenzenesenoate estersfatty acid estershydrocarbon derivativesorganic oxidesphenol estersphenoxy compounds |
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| Substituents | acylsalicylic acidfatty acylphenol ethercarbonyl groupethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativedimethoxybenzenealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideo-dimethoxybenzene1-carboxy-2-haloaromatic compoundbenzoic acidenoate estermethoxybenzenearomatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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