| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:47 UTC |
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| Update Date | 2025-03-25 00:50:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180303 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O10P2 |
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| Molecular Mass | 353.9906 |
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| SMILES | COc1cc(C=CC(=O)OP(=O)(O)OP(=O)(O)O)ccc1O |
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| InChI Key | IULCXYSTZRJLPP-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 benzenoidsacyl phosphatesalkyl aryl ethersanisolescarbonyl compoundshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganic phosphoric acids and derivativesorganic pyrophosphatesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxidemethoxybenzeneorganic pyrophosphatehydroxycinnamic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganic phosphoric acid derivativeorganooxygen compoundacyl phosphate |
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