| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:26 UTC |
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| Update Date | 2025-03-25 00:59:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236580 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O9 |
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| Molecular Mass | 330.0951 |
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| SMILES | COc1cc(C2OC(CO)C(O)C(O)C2O)cc(C(=O)O)c1O |
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| InChI Key | JBWMIDBDZAXJJC-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 | m-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativesdialkyl ethershydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssalicylic acidssecondary alcoholsvinylogous acids |
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| Substituents | phenol etherethercarboxylic acidaromatic heteromonocyclic compoundbenzoylmethoxyphenolmonosaccharidesalicylic acidalkyl aryl ethercarboxylic acid derivativedialkyl ethersaccharideorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivativesoxaneprimary alcoholorganoheterocyclic compoundalcoholmethoxybenzenehydroxybenzoic acidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesanisolesecondary alcoholphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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