| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:48 UTC |
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| Update Date | 2025-03-25 00:53:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200828 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H10O3 |
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| Molecular Mass | 190.063 |
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| SMILES | COc1ccc2c(c1)C(=O)CC(=O)C2 |
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| InChI Key | YPFXLNJPYDERKG-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 | alkyl aryl ethersanisolesaryl alkyl ketoneshydrocarbon derivativesorganic oxidesquinonestetralins |
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| Substituents | tetralinphenol ethercarbonyl groupetheraryl alkyl ketonearomatic homopolycyclic compoundcyclic ketonealkyl aryl etherketoneorganic oxideorganic oxygen compoundanisolehydrocarbon derivativenaphthoquinoneorganooxygen compoundaryl ketonequinone |
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