| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:50 UTC |
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| Update Date | 2025-03-21 18:38:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119618 |
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| Frequency | 21.8 |
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| Structure | |
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| Chemical Formula | C17H16O6 |
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| Molecular Mass | 316.0947 |
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| SMILES | COc1cc(C2C(=O)c3c(O)cc(O)cc3CC2O)ccc1O |
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| InChI Key | PIWJZZULEIBMRE-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 homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesaryl alkyl ketoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundssecondary alcoholstetralinsvinylogous acids |
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| Substituents | tetralinphenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherketoneorganic oxidealcoholaromatic homopolycyclic compound1-hydroxy-4-unsubstituted benzenoidmethoxybenzenevinylogous acidorganic oxygen compoundphenylnaphthaleneanisolesecondary alcoholphenolhydrocarbon derivativephenoxy compoundorganooxygen compoundaryl ketone |
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