| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:52 UTC |
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| Update Date | 2025-03-25 00:46:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157690 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O8 |
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| Molecular Mass | 298.0689 |
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| SMILES | O=C(O)CCC1(C(=O)O)Oc2cc(O)cc(O)c2CC1O |
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| InChI Key | GXMOFJPTXQZGBE-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 ethersbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | alcoholcarbonyl groupethercarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidhydroxy acid1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeoxacyclebeta-hydroxy acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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