| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:00 UTC |
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| Update Date | 2025-03-21 18:37:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117645 |
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| Frequency | 22.3 |
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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 | COc1cc(CC2CCC(=O)O2)cc(OC)c1OC1OC(C(=O)O)C(O)C1O |
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| InChI Key | ICISXGVYVODQHZ-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 | methoxybenzenes |
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| Direct Parent | dimethoxybenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativelactonedimethoxybenzenebeta-hydroxy acidsaccharideorganic oxideacetalorganoheterocyclic compound1,2-diolalcoholtetrahydrofuranhydroxy acidgamma butyrolactoneoxacycleorganic oxygen compoundm-dimethoxybenzeneanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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