| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:17 UTC |
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| Update Date | 2025-03-25 00:56:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218180 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24O11 |
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| Molecular Mass | 416.1319 |
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| SMILES | COC(=O)C1(O)CC(O)C(O)C(OC(=O)CCC(O)Cc2cc(O)cc(O)c2)O1 |
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| InChI Key | JDUPRVJTZUDWDN-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 compoundsdicarboxylic acids and derivativesfatty acid estershemiacetalshydrocarbon derivativesmethyl estersorganic oxidesoxacyclic compoundsoxanesresorcinolssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeresorcinolorganic oxidemethyl esteracetalhemiacetaloxanealcoholpyran carboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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