| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:33 UTC |
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| Update Date | 2025-03-25 00:50:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182047 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H18O12 |
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| Molecular Mass | 486.0798 |
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| SMILES | O=C(O)C1OC(Oc2cc3c(oc(=O)c4cc(O)ccc43)c3c2OC2OC=CC32)C(O)C(O)C1O |
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| InChI Key | HPWXEBZEOZCDTJ-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-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-benzopyransacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscoumaransdihydrofuransglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidglucuronic acid or derivatives1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundcoumarandihydrofuranalcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acidisocoumarinangular furanocoumarinoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyran2-benzopyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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