| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:21 UTC |
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| Update Date | 2025-03-21 18:03:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041760 |
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| Frequency | 82.1 |
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| Structure | |
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| Chemical Formula | C19H18O9 |
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| Molecular Mass | 390.0951 |
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| SMILES | O=c1oc2cc(OC3OC(C(O)O)C(O)C(O)C3O)ccc2c2ccccc12 |
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| InChI Key | WOTNJFGXOGNWEA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | coumarins and derivatives |
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| Subclass | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans2-benzopyransacetalscarbonyl hydratesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethercarbonyl hydrate1-benzopyranmonosaccharidelactonesaccharideorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compoundisocoumarincoumarinoxacycleorganic oxygen compoundpyran2-benzopyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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