| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:43 UTC |
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| Update Date | 2025-03-21 18:31:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085440 |
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| Frequency | 33.5 |
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| Structure | |
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| Chemical Formula | C13H12O6 |
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| Molecular Mass | 264.0634 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1CCC(=O)O1 |
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| InChI Key | MUVGBLKRVPPMRD-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 | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsacylalsbenzene and substituted derivativescarbonyl compoundsdicarboxylic acids and derivativesenoate estersfatty acid estersgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneacylalalpha,beta-unsaturated carboxylic esterorganic oxideacetalorganoheterocyclic compoundenoate estertetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactonehydroxycinnamic acidoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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