| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:14 UTC |
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| Update Date | 2025-03-25 00:46:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154072 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O8 |
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| Molecular Mass | 326.1002 |
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| SMILES | COc1cc(CCC(=O)OC2OC(=O)CC(O)C2O)ccc1O |
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| InChI Key | DMRPHVKWMLRFOT-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 | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsacetalsacylalsalkyl aryl ethersanisolescarbonyl compoundsdelta valerolactonesdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compounddelta valerolactone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativelactoneacylalorganic oxideacetaloxanedelta_valerolactoneorganoheterocyclic compound1,2-diolalcoholmethoxybenzeneoxacyclefatty acid esterorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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