| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:30 UTC |
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| Update Date | 2025-03-25 00:47:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163588 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O5 |
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| Molecular Mass | 236.0685 |
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| SMILES | CC1(O)CC(=O)OCc2cc3c(cc21)OCO3 |
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| InChI Key | WOTNJUNWZSCQLD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzoxepines |
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| Subclass | benzoxepines |
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| Direct Parent | benzoxepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsbenzenoidsbenzodioxolescarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstertiary alcohols |
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| Substituents | alcoholcarbonyl groupbenzoxepinecarboxylic acid derivativelactoneoxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalaromatic heteropolycyclic compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compoundbenzodioxole |
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