| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:17 UTC |
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| Update Date | 2025-03-25 00:46:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156443 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H22O4 |
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| Molecular Mass | 326.1518 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)c1ccccc1O)O2 |
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| InChI Key | PGULAJOTXMKNCP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsvinylogous acids |
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| Substituents | monocyclic benzene moietyetheraryl alkyl ketone1-benzopyranbenzoyl1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundbenzopyran1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidphenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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