| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:39 UTC |
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| Update Date | 2025-03-25 00:45:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150302 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H23O12+ |
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| Molecular Mass | 467.1184 |
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| SMILES | COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)[o+]c1OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | UNYXCGQCHYCJQT-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 | chromones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersaryl alkyl ketonesbenzenoidsheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic cationsorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcoholsvinylogous acids |
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| Substituents | etheraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl etherketonesaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundorganic cationoxaneprimary alcoholalcoholheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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