| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:17 UTC |
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| Update Date | 2025-03-25 00:47:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163083 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20O10 |
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| Molecular Mass | 384.1056 |
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| SMILES | O=C(CCC(O)Cc1cc(O)cc(O)c1)OC1=C(O)C(=O)OC1C(O)CO |
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| InChI Key | XZKAJTBPEKDXEN-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 | benzenediols |
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| Direct Parent | resorcinols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesbutenolidescarbonyl compoundsdicarboxylic acids and derivativesdihydrofuransenoate estersfatty acid estershydrocarbon derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativeresorcinollactonealpha,beta-unsaturated carboxylic ester2-furanonesaccharideorganic oxideprimary alcoholorganoheterocyclic compounddihydrofuranenoate esteralcohol1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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