| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:35 UTC |
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| Update Date | 2025-03-25 00:45:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150171 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H12O7 |
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| Molecular Mass | 364.0583 |
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| SMILES | COc1cc2c3c(c(=O)oc2c2c(=O)oc4cc(O)ccc4c12)C(=O)CC3 |
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| InChI Key | UODMAIGTORXPFU-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 | pyranocoumarins |
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| Direct Parent | angular pyranocoumarins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-benzopyransalkyl aryl ethersanisolesaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivatives |
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| Substituents | phenol etheretheraryl alkyl ketone1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherangular pyranocoumarinketonelactoneorganic oxidearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundbenzopyranheteroaromatic compoundisocoumarinoxacycleorganic oxygen compoundpyrananisole2-benzopyranhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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