| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:59 UTC |
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| Update Date | 2025-03-25 00:50:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180770 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18O5 |
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| Molecular Mass | 314.1154 |
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| SMILES | COc1cc2c(cc1O)CC(Cc1ccc(O)c(O)c1)CC2=O |
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| InChI Key | LJEGMAWTANQZRQ-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 | tetralins |
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| Subclass | tetralins |
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| Direct Parent | tetralins |
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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 ketonesbenzene and substituted derivativeshydrocarbon derivativesorganic oxides |
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| Substituents | tetralinphenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compound1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherketoneorganic oxideorganic oxygen compoundanisolephenolhydrocarbon derivativeorganooxygen compoundaryl ketone |
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