Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:53:15 UTC |
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Update Date | 2025-03-25 00:51:16 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02185886 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C12H12O5 |
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Molecular Mass | 236.0685 |
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SMILES | OCC(O)c1cc(O)cc2cc(O)cc(O)c12 |
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InChI Key | HFAUAMZHCUYWIF-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 | naphthalenes |
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Subclass | naphthols and derivatives |
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Direct Parent | naphthols and derivatives |
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Geometric Descriptor | aromatic homopolycyclic compounds |
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Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholshydrocarbon derivativesprimary alcoholssecondary alcohols |
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Substituents | aromatic alcoholalcohol1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compound1-hydroxy-4-unsubstituted benzenoidorganic oxygen compoundsecondary alcoholhydrocarbon derivative1-naphtholprimary alcohol2-naphtholorganooxygen compound1,2-diol |
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