| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:11 UTC |
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| Update Date | 2025-03-25 00:58:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231420 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H22O6 |
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| Molecular Mass | 346.1416 |
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| SMILES | CC1C(Oc2ccc3c(O)cc(O)cc3c2)OC(C(=O)O)C(C)C1C |
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| InChI Key | ALOCISNEPAFHIT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | naphthols and derivatives |
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| Direct Parent | naphthols and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acids |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidpyran carboxylic acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativepyran carboxylic acidoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalaromatic heteropolycyclic compoundpyranhydrocarbon derivative1-naphtholoxane2-naphtholorganoheterocyclic compoundorganooxygen compound |
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