| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:02 UTC |
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| Update Date | 2025-03-25 00:56:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217608 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H30O16 |
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| Molecular Mass | 562.1534 |
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| SMILES | O=C1CC(O)(C(=O)O)Cc2cc(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)cc(O)c21 |
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| InChI Key | NBRWNTKTYQBJON-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 | naphthalenecarboxylic acids and derivatives |
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| Direct Parent | naphthalenecarboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalpha hydroxy acids and derivativesaryl alkyl ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersprimary alcoholssecondary alcoholstertiary alcoholstetralinsvinylogous acids |
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| Substituents | tetralinphenol ethercarbonyl groupcarboxylic acidaryl alkyl ketonealpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativeketonesaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivative2-naphthalenecarboxylic acidorganooxygen compoundaryl ketone |
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