| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:57 UTC |
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| Update Date | 2025-03-25 00:53:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201201 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H18O9 |
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| Molecular Mass | 402.0951 |
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| SMILES | COc1cc(C=CC(=O)OC(Cc2ccc(O)c(O)c2)C(=O)C(=O)O)ccc1O |
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| InChI Key | VXYJQSAIBQUHFC-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalpha-acyloxy ketonesalpha-hydroxy ketonesalpha-keto acids and derivativesanisolescarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compounds |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-acyloxy ketone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativeketonealpha,beta-unsaturated carboxylic esterorganic oxidealpha-keto acidenoate ester1-hydroxy-4-unsubstituted benzenoidmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisoleketo acidcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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