| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:58 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 | DMID02201240 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O8 |
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| Molecular Mass | 314.1002 |
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| SMILES | COc1ccc(C(=O)OC2OC(C)C(O)C(O)C2O)c(O)c1 |
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| InChI Key | NTGXYVPKGMWHQP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | p-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssalicylic acid and derivativessecondary alcoholsvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | phenol etheretheraromatic heteromonocyclic compoundmethoxyphenolbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidebenzoate esteralkyl aryl ethercarboxylic acid derivativesaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcohol1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid esterp-methoxybenzoic acid or derivativesanisolecarboxylic acid estersecondary alcoholphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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