| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:57 UTC |
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| Update Date | 2025-03-25 00:46:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157875 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20O12 |
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| Molecular Mass | 392.0955 |
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| SMILES | O=C(O)c1c(O)cc(O)cc1OC1OC(C(O)C(O)CO)C(O)C(O)C1O |
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| InChI Key | HNUWCWKIXHDVBH-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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