| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:46 UTC |
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| Update Date | 2025-03-25 00:55:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214694 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O8 |
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| Molecular Mass | 300.0845 |
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| SMILES | CC1OC(Oc2cc(O)ccc2C(=O)O)C(O)C(O)C1O |
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| InChI Key | GRPVQWAFUHZSQF-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 | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsacetalsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethercarboxylic acidaromatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideacetal1-carboxy-2-haloaromatic compoundbenzoic acidoxaneorganoheterocyclic compoundalcoholhydroxybenzoic acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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