| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:15 UTC |
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| Update Date | 2025-03-25 00:54:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204100 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H10O4 |
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| Molecular Mass | 302.0579 |
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| SMILES | O=c1oc2c3c(cc4ccc5cccc1c5c42)OC1OC=CC31 |
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| InChI Key | HDNAQPAFIBMONE-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-benzopyrans2-benzopyransacetalscoumaransdihydrofuransheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesnaphthalenesnaphthofuransorganic oxidesorganooxygen compoundsoxacyclic compoundsphenanthrenes and derivativespyranones and derivatives |
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| Substituents | 1-benzopyranlactoneorganic oxideacetalaromatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundcoumarandihydrofuranphenanthrenebenzopyrannaphthofuranheteroaromatic compoundisocoumarinangular furanocoumarinoxacyclenaphthaleneorganic oxygen compoundpyran2-benzopyranhydrocarbon derivativebenzenoidorganooxygen compound |
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