| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:50 UTC |
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| Update Date | 2025-03-25 00:48:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171209 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H18O6 |
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| Molecular Mass | 342.1103 |
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| SMILES | COc1cc(C2c3cc4c(cc3CCC2C(=O)O)OCO4)ccc1O |
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| InChI Key | JVGCQTPZXUPCJN-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 | naphthalenes |
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| Subclass | naphthalenecarboxylic acids and derivatives |
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| Direct Parent | naphthalenecarboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbenzodioxolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetralins |
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| Substituents | tetralinphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxideacetalaromatic heteropolycyclic compoundorganoheterocyclic compoundbenzodioxolemethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativephenoxy compound2-naphthalenecarboxylic acidorganooxygen compound |
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