| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:39 UTC |
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| Update Date | 2025-03-25 00:48:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166271 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H28O9 |
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| Molecular Mass | 412.1733 |
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| SMILES | CC1CC(OCOC(=O)CCC(O)Cc2cc(O)cc(O)c2)OC(C(=O)O)C1C |
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| InChI Key | FHILARLKUUXLHW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic 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 compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesresorcinolssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeresorcinolorganic oxideacetaloxanealcoholpyran carboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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