| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:14 UTC |
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| Update Date | 2025-03-21 18:37:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115753 |
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| Frequency | 22.7 |
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| Structure | |
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| Chemical Formula | C16H14O8 |
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| Molecular Mass | 334.0689 |
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| SMILES | O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C(O)C1O |
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| InChI Key | LGHOJJDPZYOAEH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzoxepines |
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| Subclass | benzoxepines |
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| Direct Parent | benzoxepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersaryl alkyl ketonesbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundssecondary alcoholsvinylogous acids |
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| Substituents | alcoholmonocyclic benzene moietyetheraryl alkyl ketonebenzoxepine1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherketoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone1,2-diol |
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