| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:35 UTC |
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| Update Date | 2025-03-21 18:36:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109333 |
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| Frequency | 24.5 |
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| Structure | |
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| Chemical Formula | C16H12O6 |
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| Molecular Mass | 300.0634 |
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| SMILES | O=C1CC(c2ccc(O)cc2)Oc2c1c(O)cc(O)cc2=O |
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| InChI Key | HKYSTJKVIQXOGS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | hydrocarbon derivatives |
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| Class | tropones |
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| Subclass | tropones |
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| Direct Parent | tropones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersaryl alkyl ketonesbenzene and substituted derivativesorganic oxidesoxacyclic compoundsvinylogous acids |
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| Substituents | monocyclic benzene moietyethertroponearyl alkyl ketone1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherketoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundphenolbenzenoidorganoheterocyclic compoundorganooxygen compoundaryl ketone |
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