| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:26 UTC |
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| Update Date | 2025-03-25 00:59:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236577 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H16O5 |
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| Molecular Mass | 312.0998 |
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| SMILES | COc1cc(C2CC(=O)c3cc4c(cc3C2)OCO4)ccc1O |
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| InChI Key | MHXINBRIEJLUFE-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 compoundstetralins |
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| Substituents | tetralinphenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherketoneorganic oxideacetalaromatic heteropolycyclic compoundorganoheterocyclic compoundbenzodioxolemethoxybenzeneoxacycleorganic oxygen compoundphenylnaphthaleneanisolephenolhydrocarbon derivativephenoxy compoundorganooxygen compoundaryl ketone |
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