| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:55 UTC |
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| Update Date | 2025-03-25 00:46:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157831 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H28O14 |
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| Molecular Mass | 456.1479 |
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| SMILES | O=C(O)CCCC(=O)OC1C(O)C(CO)OC(OC2C(CO)OC(O)C(O)C2O)C1O |
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| InChI Key | TWNWGVRUFFETRX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | saccharolipids |
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| Subclass | saccharolipids |
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| Direct Parent | saccharolipids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideacetalaliphatic heteromonocyclic compoundhemiacetalhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundalcoholoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativesaccharolipidorganooxygen compound |
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