| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:23 UTC |
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| Update Date | 2025-03-25 00:54:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204442 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15O7+ |
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| Molecular Mass | 295.0812 |
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| SMILES | OCC1OC(c2ccc3c(O)cc(O)cc3[o+]2)C(O)C1O |
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| InChI Key | JZJBROASWQORTG-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 benzenoidsbenzenoidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic cationsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholether1-benzopyrantetrahydrofuranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharide1-hydroxy-4-unsubstituted benzenoiddialkyl etheroxacyclesaccharideorganic oxygen compoundaromatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic cationprimary alcoholorganooxygen compound |
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