| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:50 UTC |
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| Update Date | 2025-03-25 00:48:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171205 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O6 |
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| Molecular Mass | 254.079 |
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| SMILES | COc1cc(C=C(C(=O)O)C(O)CO)ccc1O |
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| InChI Key | GYBOEGCOJTYUJX-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscinnamyl alcoholshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcinnamyl alcoholalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxideprimary alcohol1,2-diolalcoholhydroxy acidmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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