| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:56 UTC |
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| Update Date | 2025-03-25 00:50:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180664 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H11O5+ |
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| Molecular Mass | 271.0601 |
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| SMILES | Oc1ccc(-c2cc3c(O)cc(O)[o+]c3cc2O)cc1 |
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| InChI Key | XKHAINAUPGRIJR-UHFFFAOYSA-O |
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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 | coumarins and derivatives |
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| Subclass | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganooxygen compoundsoxacyclic compounds |
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| Substituents | monocyclic benzene moietybenzopyran1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidcoumarinoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidorganic cationorganoheterocyclic compoundorganooxygen compound |
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