| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:29 UTC |
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| Update Date | 2025-03-25 00:47:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159077 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17O8+ |
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| Molecular Mass | 325.0918 |
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| SMILES | OCC1OC(Oc2cc3ccccc3[o+]c2O)C(O)C(O)C1O |
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| InChI Key | ITCLPDPQNXDHDD-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-benzopyransacetalsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic cationsoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | alcoholbenzopyran1-benzopyranheteroaromatic compoundmonosaccharidecoumarinoxacyclesaccharideorganic oxygen compoundacetalaromatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic cationoxaneprimary alcoholorganoheterocyclic compoundorganooxygen compound |
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