| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:16 UTC |
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| Update Date | 2025-03-21 18:39:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127694 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C16H18O7 |
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| Molecular Mass | 322.1053 |
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| SMILES | OCC1OC(Oc2ccc3ccc(O)cc3c2)C(O)C(O)C1O |
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| InChI Key | FLRBJJHOXKPJOA-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 benzenoidsacetalshydrocarbon derivativesmonosaccharidesoxacyclic compoundsoxanesphenol ethersprimary alcoholssecondary alcohols |
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| Substituents | alcoholphenol ether1-hydroxy-2-unsubstituted benzenoidmonosaccharideoxacyclesaccharideorganic oxygen compoundacetalaromatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativeoxaneprimary alcohol2-naphtholorganoheterocyclic compoundorganooxygen compound |
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