| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:22 UTC |
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| Update Date | 2025-03-25 00:46:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154374 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O7 |
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| Molecular Mass | 320.0896 |
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| SMILES | COc1cc(C=CC(=O)OC2C(=O)CC(O)CC2=O)ccc1O |
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| InChI Key | OROCRDULNBFUQN-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 benzenoidsalkyl aryl ethersalpha-acyloxy ketonesanisolesbeta-diketonescyclic alcohols and derivativescyclic ketonesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetheralpha-acyloxy ketone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcyclic ketonealkyl aryl ethercarboxylic acid derivativeketonealpha,beta-unsaturated carboxylic esterorganic oxideenoate esteralcoholcyclic alcoholmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoid1,3-dicarbonyl compoundphenoxy compound1,3-diketoneorganooxygen compound |
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