Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:49:46 UTC |
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Update Date | 2025-03-21 18:02:27 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00038023 |
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Frequency | 92.2 |
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Structure | |
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Chemical Formula | C12H16O7 |
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Molecular Mass | 272.0896 |
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SMILES | OCC1OC(c2ccc(O)cc2O)C(O)C(O)C1O |
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InChI Key | PDXPEMLNNWECAR-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 | phenols |
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Subclass | benzenediols |
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Direct Parent | resorcinols |
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Geometric Descriptor | aromatic heteromonocyclic compounds |
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Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesdialkyl ethershydrocarbon derivativesmonosaccharidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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Substituents | alcoholmonocyclic benzene moietyetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharide1-hydroxy-4-unsubstituted benzenoiddialkyl etherresorcinoloxacyclesaccharideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeoxaneprimary alcoholorganoheterocyclic compoundorganooxygen compound |
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