| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:14 UTC |
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| Update Date | 2025-03-25 00:53:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201803 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O8 |
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| Molecular Mass | 314.1002 |
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| SMILES | Cc1ccc(C2OC(CO)C(O)C(C(=O)O)O2)c(CO)c1O |
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| InChI Key | NBMGADADVJKADH-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 | phenols |
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| Subclass | cresols |
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| Direct Parent | ortho cresols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxanes1-hydroxy-4-unsubstituted benzenoidsacetalsaromatic alcoholsbenzyl alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholstoluenes |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativebeta-hydroxy acidorganic oxideacetalo-cresolprimary alcoholorganoheterocyclic compoundalcoholhydroxy acidbenzyl alcohol1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativetoluenemeta-dioxaneorganooxygen compound |
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