| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:57 UTC |
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| Update Date | 2025-03-25 00:55:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02215093 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O7 |
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| Molecular Mass | 348.1209 |
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| SMILES | CC1C(Oc2cc(=O)oc3cc(O)ccc23)OC(C(=O)O)C(C)C1C |
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| InChI Key | OKYPTEHKXWOGDJ-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 | coumarin glycosides |
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| Direct Parent | coumarin glycosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids7-hydroxycoumarinsacetalsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidspyranones and derivativesvinylogous esters |
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| Substituents | carbonyl groupcarboxylic acidcoumarin o-glycoside1-benzopyran1-hydroxy-2-unsubstituted benzenoidcoumarin-4-o-glycosidecarboxylic acid derivativepyran carboxylic acidlactoneorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundbenzopyranpyran carboxylic acid or derivatives7-hydroxycoumarinvinylogous esterheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranhydrocarbon derivativebenzenoidorganooxygen compound |
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