| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:55 UTC |
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| Update Date | 2025-03-21 18:38:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122172 |
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| Frequency | 21.2 |
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| Structure | |
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| Chemical Formula | C17H12O6 |
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| Molecular Mass | 312.0634 |
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| SMILES | COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)OC1OC=CC21 |
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| InChI Key | JQPJRIKUTKLTHA-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 | furanocoumarins |
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| Direct Parent | angular furanocoumarins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransacetalsalkyl aryl ethersanisolesaryl alkyl ketonescoumaransdihydrofuransheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivatives |
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| Substituents | phenol etheretheraryl alkyl ketone1-benzopyranalkyl aryl etherketonelactoneorganic oxideacetalaromatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundcoumarandihydrofuranbenzopyranheteroaromatic compoundangular furanocoumarinoxacycleorganic oxygen compoundpyrananisolehydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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