| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:43 UTC |
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| Update Date | 2025-03-25 00:54:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207431 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H11NO3 |
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| Molecular Mass | 253.0739 |
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| SMILES | Nc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1 |
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| InChI Key | IRLHNCRKOFSBTF-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-hydroxycoumarinsbenzene and substituted derivativescoumarins and derivativesheteroaromatic compoundshydrocarbon derivativesisoflavonoidslactonesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary aminespyranones and derivatives |
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| Substituents | monocyclic benzene moiety1-benzopyran1-hydroxy-2-unsubstituted benzenoidisoflav-3-enone skeletonlactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyranoneorganopnictogen compoundorganoheterocyclic compoundbenzopyran7-hydroxycoumarinheteroaromatic compoundcoumarinoxacycleorganic oxygen compoundpyranhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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