| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:12 UTC |
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| Update Date | 2025-03-25 00:49:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176687 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H16O7 |
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| Molecular Mass | 344.0896 |
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| SMILES | O=C1CCC(Cc2ccc(C3CC(=O)c4c(O)cc(O)cc4O3)o2)O1 |
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| InChI Key | ZALMVAFLUVPDBV-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 | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | chromones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersaryl alkyl ketonesbenzenoidscarboxylic acid estersfuransgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofuransvinylogous acids |
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| Substituents | furancarbonyl groupetheraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeketonelactoneorganic oxidechromonearomatic heteropolycyclic compoundtetrahydrofuranheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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