| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:32 UTC |
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| Update Date | 2025-03-25 00:46:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156968 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O11 |
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| Molecular Mass | 346.0536 |
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| SMILES | O=C(OOC1OC(C(=O)O)C(O)C(O)C1O)c1cc(O)ccc1O |
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| InChI Key | LAZPBPFAJVXSEX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroquinonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesperoxybenzoic acids and derivativesperoxycarboxylic acids and derivativespyran carboxylic acidssalicylic acid and derivativessecondary alcoholsvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxideperoxycarboxylic acid or derivativesoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesperoxybenzoatebenzoic acid or derivativeshydroxy acidhydroquinoneoxacyclevinylogous acidsalicylic acid or derivativespyransecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
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