| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:00 UTC |
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| Update Date | 2025-03-25 00:53:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198948 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O6 |
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| Molecular Mass | 308.126 |
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| SMILES | CC1Oc2cc(O)cc(O)c2CC1CC1CC(O)CC(=O)O1 |
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| InChI Key | XYBBWUWQKLCMFA-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 | 1-benzopyrans |
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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 ethersbenzenoidscarbonyl compoundscarboxylic acid estersdelta valerolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | carbonyl groupether1-benzopyrandelta valerolactone1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundoxanedelta_valerolactonealcohol1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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