| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:18 UTC |
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| Update Date | 2025-03-25 00:51:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186007 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O8 |
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| Molecular Mass | 298.0689 |
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| SMILES | O=C(Cc1ccc(O)c(O)c1)OC1COC(=O)C(O)C1O |
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| InChI Key | OUAXRZMGJJPCAW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | lactones |
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| Subclass | delta valerolactones |
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| Direct Parent | delta valerolactones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compounddelta valerolactone1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideoxanedelta_valerolactone1,2-diolalcohol1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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