| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:00 UTC |
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| Update Date | 2025-03-25 01:01:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249376 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H10O5 |
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| Molecular Mass | 222.0528 |
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| SMILES | COc1cc(O)c2c(c1)CC(O)C(=O)C2=O |
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| InChI Key | RWISKQDQEBCQBO-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 | naphthoquinones |
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| Direct Parent | naphthoquinones |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesaryl ketoneshydrocarbon derivativesorganic oxidesquinonessecondary alcoholstetralinsvinylogous acids |
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| Substituents | alcoholtetralinphenol ethercarbonyl groupether1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundcyclic ketone1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherketonevinylogous acidorganic oxideorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativenaphthoquinoneorganooxygen compoundaryl ketonequinone |
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