| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:30 UTC |
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| Update Date | 2025-03-21 18:35:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104230 |
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| Frequency | 26.0 |
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| Structure | |
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| Chemical Formula | C18H16O8 |
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| Molecular Mass | 360.0845 |
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| SMILES | O=c1oc2cc(OC3OC(CO)C(O)C3O)ccc2c2ccc(O)cc12 |
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| InChI Key | LMWLYSPMNJMZEE-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-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-benzopyransacetalsheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundsphenol ethersprimary alcoholspyranones and derivativessecondary alcoholstetrahydrofurans |
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| Substituents | phenol ether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmonosaccharidelactonesaccharideorganic oxideacetalaromatic heteropolycyclic compoundpyranoneprimary alcoholorganoheterocyclic compoundalcoholbenzopyrantetrahydrofuranheteroaromatic compoundisocoumarincoumarinoxacycleorganic oxygen compoundpyran2-benzopyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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