| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:44 UTC |
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| Update Date | 2025-03-25 00:49:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175584 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O8S |
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| Molecular Mass | 372.0879 |
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| SMILES | CSCC1OC(OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O |
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| InChI Key | NPFOMOONAGFVTF-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 benzenoidsacetalsbenzene and substituted derivativescarbonyl compoundsdialkylthioethersenoate estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcoholssulfenyl compounds |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharideorganosulfur compoundcarboxylic acid derivativealpha,beta-unsaturated carboxylic estersaccharideorganic oxideacetaloxaneorganoheterocyclic compoundenoate esteralcoholsulfenyl compounddialkylthioether1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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