| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:20 UTC |
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| Update Date | 2025-03-25 00:54:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204309 |
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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(Oc2ccc3[o+]ccc(O)c3c2)C(O)C(O)C1O |
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| InChI Key | MREDHKNXXPAVHQ-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | 1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic cationsoxacyclic compoundsoxanesphenol ethersprimary alcoholssecondary alcohols |
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| Substituents | alcoholphenol ether1-benzopyranheteroaromatic compoundmonosaccharideoxacyclesaccharideorganic oxygen compoundacetalaromatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic cationoxaneprimary alcoholorganooxygen compound |
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