| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:28 UTC |
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| Update Date | 2025-03-25 00:50:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181871 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13O4+ |
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| Molecular Mass | 221.0808 |
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| SMILES | OCC(O)C(O)c1ccc2ccccc2[o+]1 |
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| InChI Key | CYSBZYRLSYNBRF-UHFFFAOYSA-N |
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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 | aromatic alcoholsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic cationsoxacyclic compoundsprimary alcoholssecondary alcohols |
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| Substituents | aromatic alcoholalcohol1-benzopyranheteroaromatic compoundoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic cationprimary alcoholorganooxygen compound |
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