| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:00 UTC |
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| Update Date | 2025-03-25 00:59:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240080 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H10O7 |
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| Molecular Mass | 314.0427 |
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| SMILES | O=C1CCc2cc(O)c(O)c3oc(=O)c4cc(O)c(O)c1c4c23 |
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| InChI Key | RECCFEFFKHXURG-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 | cycloheptapyrans |
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| Subclass | cycloheptapyrans |
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| Direct Parent | cycloheptapyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-benzopyransaryl alkyl ketonesbenzenoidscoumarins and derivativesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativesvinylogous acids |
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| Substituents | benzopyranaryl alkyl ketone1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidisocoumarincycloheptapyrancoumarinketonelactoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyran2-benzopyranpyranonehydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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