| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:08 UTC |
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| Update Date | 2025-03-21 18:33:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095922 |
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| Frequency | 28.9 |
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| Structure | |
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| Chemical Formula | C13H14O10 |
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| Molecular Mass | 330.0587 |
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| SMILES | COc1cc(C(=O)O)ccc1OC1OOC(C(=O)O)C(O)C1O |
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| InChI Key | VQTRJJRVQKGYEH-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 | 1,2-diols1,2-dioxanesalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl peroxidesdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundbenzoylalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidedialkyl peroxidebenzoic acidm-methoxybenzoic acid or derivativesorganoheterocyclic compound1,2-diolalcoholhydroxy acidmethoxybenzeneoxacycleorganic oxygen compoundanisolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundortho-dioxaneorganooxygen compound |
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