| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:46 UTC |
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| Update Date | 2025-03-25 00:59:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235100 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H26O12 |
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| Molecular Mass | 458.1424 |
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| SMILES | COC(=O)C1OC(Oc2cc(CC3CCC(=O)O3)cc(OC)c2O)C(O)C(O)C(O)C1O |
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| InChI Key | FUMKCLFVSQKLRB-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 | acetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmethyl estersorganic oxidesoxacyclic compoundsoxepanesphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundmethoxyphenolalkyl aryl ethercarboxylic acid derivativelactonebeta-hydroxy acidorganic oxidemethyl esteracetalorganoheterocyclic compoundalcoholtetrahydrofuranhydroxy acidmethoxybenzenegamma butyrolactoneoxepaneoxacycleorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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