| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:33 UTC |
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| Update Date | 2025-03-25 00:49:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177510 |
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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(C2C(=O)c3cc4c(cc3C(C)C2O)OCO4)ccc1O |
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| InChI Key | SMDKEDPAKFDVDF-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 | phenylnaphthalenes |
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| Direct Parent | phenylnaphthalenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesaryl alkyl ketonesbenzodioxoleshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholstetralins |
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| Substituents | tetralinphenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherketoneorganic oxideacetalaromatic heteropolycyclic compoundorganoheterocyclic compoundbenzodioxolealcoholmethoxybenzeneoxacycleorganic oxygen compoundphenylnaphthaleneanisolesecondary alcoholphenolhydrocarbon derivativephenoxy compoundorganooxygen compoundaryl ketone |
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