| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:04 UTC |
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| Update Date | 2025-03-21 18:06:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062346 |
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| Frequency | 49.8 |
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| Structure | |
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| Chemical Formula | C15H17O9+ |
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| Molecular Mass | 341.0867 |
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| SMILES | OCC1OC(Oc2c[o+]c3cc(O)cc(O)c3c2)C(O)C(O)C1O |
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| InChI Key | CQZLVEWBMWVXBQ-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic cationsoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | alcohol1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharide1-hydroxy-4-unsubstituted benzenoidoxacyclesaccharideorganic oxygen compoundacetalaromatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic cationoxaneprimary alcoholorganooxygen compound |
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