| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:15 UTC |
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| Update Date | 2025-03-25 00:51:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185904 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H26O12 |
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| Molecular Mass | 446.1424 |
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| SMILES | O=C(CCCCc1cccc(O)c1C(=O)O)OCOC1OC(C(O)O)C(O)C(O)C1O |
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| InChI Key | GYNFBHRZZFYRBK-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | salicylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzoic acidsbenzoyl derivativescarbonyl compoundscarbonyl hydratescarboxylic acid estersdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcoholsvinylogous acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidcarbonyl hydratearomatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidesalicylic acidcarboxylic acid derivativesaccharideorganic oxideacetal1-carboxy-2-haloaromatic compoundbenzoic acidoxaneorganoheterocyclic compoundalcohol1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid estervinylogous acidorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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