| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:31 UTC |
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| Update Date | 2025-03-21 18:06:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065763 |
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| Frequency | 46.5 |
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| Structure | |
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| Chemical Formula | C14H10O7 |
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| Molecular Mass | 290.0427 |
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| SMILES | O=C1c2c(O)cc(O)cc2OOC1c1ccc(O)c(O)c1 |
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| InChI Key | WEIIMTHOKJQBGP-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 | benzodioxanes |
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| Subclass | benzo-1,2-dioxanes |
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| Direct Parent | benzo-1,2-dioxanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl alkyl ketonesbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsortho dioxinsoxacyclic compoundsvinylogous acids |
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| Substituents | monocyclic benzene moietyaryl alkyl ketone1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidketoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundortho-dioxinbenzo-1,2-dioxanephenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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