| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:53 UTC |
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| Update Date | 2025-03-25 00:57:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226367 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O9 |
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| Molecular Mass | 358.1264 |
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| SMILES | CC(Cc1cc(O)cc(O)c1)C(=O)OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | VOHLHLLFUALLLF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalscarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholsresorcinolssecondary alcohols |
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| Substituents | fatty acylcarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativeresorcinolphenylpropanesaccharideorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcohol1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativeorganooxygen compound |
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