| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:15:45 UTC |
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| Update Date | 2025-03-21 22:13:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00522366 |
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| Frequency | 3.2 |
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| Structure | |
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| Chemical Formula | C9H8 |
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| Molecular Mass | 116.0626 |
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| SMILES | C#CCc1ccccc1 |
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| InChI Key | NGKSKVYWPINGLI-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetylenesacetylidesunsaturated aliphatic hydrocarbons |
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| Substituents | aromatic homomonocyclic compoundmonocyclic benzene moietyacetylideunsaturated aliphatic hydrocarbonhydrocarbonunsaturated hydrocarbonacetylene |
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