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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