| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:35:48 UTC |
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| Update Date | 2025-03-21 17:57:06 UTC |
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| HMDB ID | HMDB0041667 |
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| Metabolite Identification |
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| DeepMet ID | DMID00005679 |
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| Name | 3-O-Methylrosmarinic acid |
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| Frequency | 932.0 |
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| Structure | |
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| Chemical Formula | C19H18O8 |
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| Molecular Mass | 374.1002 |
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| SMILES | COc1cc(CC(OC(=O)C=Cc2ccc(O)c(O)c2)C(=O)O)ccc1O |
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| InChI Key | NFSDQICEPLDULQ-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 ethersanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundsphenylpropanoic acids |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxideenoate ester1-hydroxy-4-unsubstituted benzenoidmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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