| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:52 UTC |
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| Update Date | 2025-03-25 00:53:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200985 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20O10 |
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| Molecular Mass | 360.1056 |
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| SMILES | COc1cc(C(=O)O)c(O)cc1OC1C(CO)OC(CO)C(O)C1O |
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| InChI Key | RBFBFMSKHKLMEY-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 | tannins |
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| Subclass | hydrolyzable tannins |
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| Direct Parent | hydrolyzable tannins |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativesdialkyl ethershydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssalicylic acidssecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidaromatic heteromonocyclic compoundbenzoylmethoxyphenol1-hydroxy-2-unsubstituted benzenoidmonosaccharidesalicylic acidalkyl aryl ethercarboxylic acid derivativedialkyl ethersaccharideorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivativesoxaneprimary alcoholorganoheterocyclic compoundhydrolyzable tanninalcohol4-alkoxyphenolbenzoic acid or derivativesmethoxybenzenehydroxybenzoic acidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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