| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:32 UTC |
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| Update Date | 2025-03-25 00:51:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188864 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O5 |
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| Molecular Mass | 252.0998 |
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| SMILES | CC(O)C(O)C1CC(=O)c2c(O)cc(O)cc2C1 |
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| InChI Key | PJNOVDDQUBDMCO-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 | tetralins |
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| Subclass | tetralins |
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| Direct Parent | tetralins |
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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 benzenoidsaryl alkyl ketoneshydrocarbon derivativesorganic oxidessecondary alcoholsvinylogous acids |
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| Substituents | alcoholtetralinaryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compound1-hydroxy-4-unsubstituted benzenoidketonevinylogous acidorganic oxideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compoundaryl ketone1,2-diol |
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