| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:44 UTC |
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| Update Date | 2025-03-25 00:49:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177940 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O8 |
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| Molecular Mass | 312.0845 |
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| SMILES | COc1cc(C(=O)O)ccc1OC1OC(C(=O)O)CCC1O |
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| InChI Key | CCZRXZDVHCJMFX-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 | acetalsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundbenzoylalkyl aryl ethercarboxylic acid derivativepyran carboxylic acidorganic oxideacetalbenzoic acidm-methoxybenzoic acid or derivativesoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesmethoxybenzeneoxacycleorganic oxygen compoundpyrananisolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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