| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:34 UTC |
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| Update Date | 2025-03-21 17:58:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016623 |
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| Frequency | 256.7 |
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| Structure | |
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| Chemical Formula | C13H18 |
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| Molecular Mass | 174.1409 |
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| SMILES | C=C(CCCCC)c1ccccc1 |
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| InChI Key | SXZXMSIJGYCCOU-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 | branched unsaturated hydrocarbonscyclic olefinsunsaturated aliphatic hydrocarbons |
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| Substituents | aromatic homomonocyclic compoundmonocyclic benzene moietycyclic olefinbranched unsaturated hydrocarbonunsaturated aliphatic hydrocarbonolefinhydrocarbonunsaturated hydrocarbon |
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