| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:19 UTC |
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| Update Date | 2025-03-25 00:45:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149542 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20O11 |
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| Molecular Mass | 400.1006 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)C(C(=O)O)OC(CO)C(O)C1O |
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| InChI Key | MFODAMFYWVIUKF-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 benzenoidsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxidesoxacyclic compoundsoxepanesprimary alcoholssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativedialkyl etheralpha,beta-unsaturated carboxylic esterbeta-hydroxy acidorganic oxideprimary alcoholorganoheterocyclic compoundenoate esteralcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidoxepaneoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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