| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:31 UTC |
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| Update Date | 2025-03-25 01:01:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250565 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O6 |
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| Molecular Mass | 254.079 |
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| SMILES | O=C1C(O)CC(c2ccc(O)c(O)c2)OC1CO |
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| InChI Key | XRYOQYSVWSHYRB-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescyclic ketonesdialkyl ethershydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcyclic ketone1-hydroxy-4-unsubstituted benzenoiddialkyl etherketoneoxacycleorganic oxideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeoxaneprimary alcoholorganoheterocyclic compoundorganooxygen compound |
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