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CHEBI:206093 - 6,7-diketothiomarinolic acid C6

ChEBI IDCHEBI:206093
ChEBI Name6,7-diketothiomarinolic acid C6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O8
Net Charge0
Average Mass438.517
Monoisotopic Mass438.22537
SMILESC/C(=C\C(=O)OCCCCCC(=O)O)C[C@@H]1OCC(C/C=C/[C@@H](C)[C@H](C)O)=C(O)C1=O
InChIInChI=1S/C23H34O8/c1-15(13-21(27)30-11-6-4-5-10-20(25)26)12-19-23(29)22(28)18(14-31-19)9-7-8-16(2)17(3)24/h7-8,13,16-17,19,24,28H,4-6,9-12,14H2,1-3H3,(H,25,26)/b8-7+,15-13+/t16-,17+,19+/m1/s1
InChIKeyOXYNOEAWWVRXNO-CQKYRUEOSA-N
Species of MetaboliteComponentSourceComments
Pseudoalteromonasspecies (ncbitaxon:53249) - PubMed (28181382)
ChEBI Ontology
Outgoing Relation(s)
6,7-diketothiomarinolic acid C6 (CHEBI:206093) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
6-[(E)-4-[(6S)-4-hydroxy-3-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]-5-oxo-2H-pyran-6-yl]-3-methylbut-2-enoyl]oxyhexanoic acid
Manual XrefsDatabases
61360247ChemSpider