| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:33 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207038 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H18O9 |
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| Molecular Mass | 402.0951 |
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| SMILES | O=C(O)C1C(Oc2ccc3c(c2)oc(=O)c2cc(O)ccc23)CC(O)C(O)C1O |
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| InChI Key | RFKIKTAGAHXDRU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | coumarins and derivatives |
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| Subclass | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-benzopyransalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenol etherspyranones and derivatives |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativelactonebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compoundcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholisocoumarincoumarinoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyran2-benzopyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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