| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:39 UTC |
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| Update Date | 2025-03-25 00:49:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177758 |
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| Frequency | 0.5 |
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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 | COc1c(O)ccc2c(=O)c(-c3ccc(O)cc3)c(O)oc12 |
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| InChI Key | CEXMQMPENVWSHT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | isoflavonoids |
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| Subclass | isoflav-2-enes |
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| Direct Parent | isoflavones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzene and substituted derivativeschromonescoumarins and derivativesheteroaromatic compoundshydrocarbon derivativesisoflavonoidsorganic oxidesoxacyclic compoundspyranones and derivativesvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxidechromonearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundisoflavonebenzopyranheteroaromatic compoundcoumarinoxacyclevinylogous acidorganic oxygen compoundpyrananisolephenolhydrocarbon derivativebenzenoidorganooxygen compound |
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