| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:56 UTC |
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| Update Date | 2025-03-21 18:38:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119833 |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C22H22O7 |
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| Molecular Mass | 398.1366 |
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| SMILES | CC1C(Oc2ccc3c(c2)oc(=O)c2cc(O)ccc23)OC(C(=O)O)C(C)C1C |
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| InChI Key | UGSXNHFHHNRKQU-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-benzopyransacetalscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivatives |
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| Substituents | phenol ethercarbonyl groupcarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativepyran carboxylic acidlactoneorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundisocoumarincoumarinoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyran2-benzopyranhydrocarbon derivativebenzenoidorganooxygen compound |
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