| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:44 UTC |
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| Update Date | 2025-03-25 00:56:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219248 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O2 |
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| Molecular Mass | 188.0837 |
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| SMILES | COc1ccc2c(c1)C=CC(C)C2=O |
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| InChI Key | XDBVRDZSFKGYIL-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 | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl alkyl ketoneshydrocarbon derivativesorganic oxides |
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| Substituents | phenol etheretheraryl alkyl ketonearomatic homopolycyclic compoundalkyl aryl etherketoneorganic oxidenaphthaleneorganic oxygen compoundanisolehydrocarbon derivativeorganooxygen compoundaryl ketone |
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