| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:21 UTC |
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| Update Date | 2025-03-21 18:36:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111219 |
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| Frequency | 23.9 |
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| Structure | |
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| Chemical Formula | C21H22O10 |
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| Molecular Mass | 434.1213 |
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| SMILES | O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(C(=O)O)CC(O)C1O |
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| InChI Key | ARNNTKJLRZZMQS-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 | flavonoids |
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| Subclass | flavonoid glycosides |
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| Direct Parent | flavonoid o-glycosides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2'-hydroxy-dihydrochalconesacetalsalkyl-phenylketonesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidscinnamylphenolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidsresorcinolssecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl group2'-hydroxy-dihydrochalconecarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidcinnamylphenolcarboxylic acid derivativepyran carboxylic acidresorcinolketoneorganic oxideacetaloxaneorganoheterocyclic compound1,2-diolalcohollinear 1,3-diarylpropanoidpyran carboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidflavonoid o-glycosidephenylketonebutyrophenoneoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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