| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:38 UTC |
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| Update Date | 2025-03-25 00:53:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200455 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O6 |
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| Molecular Mass | 278.079 |
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| SMILES | COc1ccc(C=C2CC(C(=O)O)OC2=O)cc1OC |
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| InChI Key | IWVXCGBUAMKTJM-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 | methoxybenzenes |
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| Direct Parent | dimethoxybenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativelactonedimethoxybenzenealpha,beta-unsaturated carboxylic esterorganic oxideo-dimethoxybenzeneorganoheterocyclic compoundenoate estertetrahydrofurangamma butyrolactoneoxacycleorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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