| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:21 UTC |
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| Update Date | 2025-03-25 00:51:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186124 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22O10 |
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| Molecular Mass | 398.1213 |
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| SMILES | O=C(CCC(O)Cc1cc(O)cc(O)c1)OC1CC(O)(C(=O)O)CC(O)C1=O |
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| InChI Key | UBZZOFLCYQQZFU-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 | phenols |
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| Subclass | benzenediols |
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| Direct Parent | resorcinols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesalpha-acyloxy ketonesbenzene and substituted derivativescarboxylic acid esterscarboxylic acidscyclic ketonescyclitols and derivativesdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-acyloxy ketonealpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcyclic ketonecarboxylic acid derivativeresorcinolketoneorganic oxidealcoholcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholaromatic homomonocyclic compoundfatty acid estertertiary alcoholorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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