| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:18 UTC |
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| Update Date | 2025-03-25 00:50:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181495 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O7 |
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| Molecular Mass | 288.1209 |
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| SMILES | O=C(O)CCCCCCCC(O)C1OC(=O)C(O)=C1O |
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| InChI Key | LBIKPXOYTPGAEN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | butenolidescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdihydrofuransenoate estersfatty alcoholsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidslactonesmedium-chain fatty acidsmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholsvinylogous acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidmonosaccharidecarboxylic acid derivativemedium-chain hydroxy acidlactonealpha,beta-unsaturated carboxylic ester2-furanonesaccharideorganic oxidefatty alcoholaliphatic heteromonocyclic compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compounddihydrofuranenoate esteralcoholoxacyclevinylogous acidorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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