| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:06 UTC |
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| Update Date | 2025-03-25 00:59:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235837 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O7 |
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| Molecular Mass | 332.0896 |
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| SMILES | COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)C(O)C(O)C(C)O2 |
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| InChI Key | LWHFLJWHYSJGHC-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 | 1,2-diolsalkyl aryl ethersanisolesaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranochromenespyranones and derivativessecondary alcohols |
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| Substituents | phenol etheretheraryl alkyl ketone1-benzopyranalkyl aryl etherangular pyranocoumarinketonelactoneorganic oxidearomatic heteropolycyclic compoundpyranonechromaneorganoheterocyclic compound1,2-diolalcoholbenzopyranpyranochromeneheteroaromatic compoundoxacycleorganic oxygen compoundpyrananisolesecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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