| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:40 UTC |
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| Update Date | 2025-03-25 00:46:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155091 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O5 |
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| Molecular Mass | 254.1154 |
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| SMILES | Cc1ccc(C)c(C2OC(CO)C(O)C2O)c1O |
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| InChI Key | PEXDGSCMWRDQHK-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 | xylenes |
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| Direct Parent | p-xylenols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsdialkyl ethershydrocarbon derivativesmeta cresolsmonosaccharidesortho cresolsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofuransp-xylenes |
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| Substituents | etheraromatic heteromonocyclic compoundmonosaccharidedialkyl ethersaccharideo-cresolprimary alcoholorganoheterocyclic compoundalcoholm-cresoltetrahydrofuran1-hydroxy-4-unsubstituted benzenoidoxacyclep-xyleneorganic oxygen compoundsecondary alcoholp-xylenolphenolhydrocarbon derivativeorganooxygen compound |
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