| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:56 UTC |
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| Update Date | 2025-03-25 00:53:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198793 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H17NO5 |
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| Molecular Mass | 375.1107 |
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| SMILES | COc1cc2c(Nc3ccccc3)c(-c3ccc(O)cc3)c(=O)oc2cc1O |
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| InChI Key | GNDCCALWOHEUBT-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-3-enes |
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| Direct Parent | isoflav-3-enones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids7-hydroxycoumarinsalkyl aryl ethersanisolesbenzene and substituted derivativescoumarins and derivativesheteroaromatic compoundshydrocarbon derivativesisoflavonoidslactonesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyranones and derivativessecondary aminesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherisoflav-3-enone skeletonlactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyranoneorganopnictogen compoundorganoheterocyclic compoundvinylogous amidebenzopyran7-hydroxycoumarinheteroaromatic compoundsecondary aminecoumarinoxacycleorganic oxygen compoundpyrananisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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