| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:27 UTC |
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| Update Date | 2025-03-21 18:02:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039582 |
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| Frequency | 87.8 |
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| Structure | |
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| Chemical Formula | C16H12O5 |
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| Molecular Mass | 284.0685 |
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| SMILES | COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)CCC2=O |
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| InChI Key | SWUFMBDNUANXOS-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-benzopyransalkyl aryl ethersanisolesaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativesindanoneslactonesorganic oxidesoxacyclic compoundspyranones and derivatives |
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| Substituents | phenol etheretheraryl alkyl ketone1-benzopyranalkyl aryl etherketonelactoneorganic oxidearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundbenzopyranheteroaromatic compoundindanonecoumarinoxacycleorganic oxygen compoundpyrananisoleindanehydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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