| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:32 UTC |
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| Update Date | 2025-03-21 18:41:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135247 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C13H16O10 |
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| Molecular Mass | 332.0743 |
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| SMILES | O=C(O)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | MSYRRMZRAPXYSM-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 | salicylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsprimary alcoholsresorcinolssecondary alcoholsvinylogous acids |
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| Substituents | phenol ethercarboxylic acidaromatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidesalicylic acidcarboxylic acid derivativeresorcinolsaccharideorganic oxideacetal1-carboxy-2-haloaromatic compoundbenzoic acidoxaneprimary alcoholorganoheterocyclic compoundalcohol1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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