| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:36 UTC |
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| Update Date | 2025-03-21 18:29:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080455 |
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| Frequency | 36.1 |
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| Structure | |
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| Chemical Formula | C13H20 |
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| Molecular Mass | 176.1565 |
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| SMILES | CCCCCc1cc(C)ccc1C |
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| InChI Key | ROQGPVNKDWWQAW-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 | benzene and substituted derivatives |
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| Subclass | xylenes |
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| Direct Parent | p-xylenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | saturated hydrocarbons |
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| Substituents | aromatic homomonocyclic compoundsaturated hydrocarbonp-xylenehydrocarbon |
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