| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:30 UTC |
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| Update Date | 2025-03-25 00:51:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188766 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15BrO2 |
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| Molecular Mass | 270.0255 |
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| SMILES | CC1(C(O)c2ccc(Br)cc2)CCCO1 |
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| InChI Key | SSBUNVBUAVRHCS-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 | halobenzenes |
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| Direct Parent | bromobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsaryl bromidesdialkyl ethershydrocarbon derivativesorganobromidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | aromatic alcoholalcoholetheraromatic heteromonocyclic compoundtetrahydrofuranbromobenzeneorganohalogen compounddialkyl etheraryl halideoxacycleorganic oxygen compoundsecondary alcoholorganobromidehydrocarbon derivativearyl bromideorganoheterocyclic compoundorganooxygen compound |
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