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CHEBI:206522 - F-10863C

ChEBI IDCHEBI:206522
ChEBI NameF-10863C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H52O14
Net Charge0
Average Mass768.853
Monoisotopic Mass768.33571
SMILESCC(=O)OC(CCC[C@@]12O[C@@H](C(=O)O)[C@@](O)(C(=O)O)[C@](C(=O)O)(O1)[C@@H](OC(=O)CCCCCCCCc1ccccc1)[C@@H]2O)C(C)C/C=C/c1ccccc1
InChIInChI=1S/C41H52O14/c1-27(17-15-23-30-21-12-8-13-22-30)31(52-28(2)42)24-16-26-39-33(44)34(41(55-39,38(49)50)40(51,37(47)48)35(54-39)36(45)46)53-32(43)25-14-6-4-3-5-9-18-29-19-10-7-11-20-29/h7-8,10-13,15,19-23,27,31,33-35,44,51H,3-6,9,14,16-18,24-26H2,1-2H3,(H,45,46)(H,47,48)(H,49,50)/b23-15+/t27?,31?,33-,34-,35-,39+,40+,41-/m0/s1
InChIKeyOIONUHQXBWQMKU-JETLYKJPSA-N
Species of MetaboliteComponentSourceComments
Mollisia (ncbitaxon:86026) - PubMed (9207908)
ChEBI Ontology
Outgoing Relation(s)
F-10863C (CHEBI:206522) has functional parent hexacarboxylic acid (CHEBI:59359)
F-10863C (CHEBI:206522) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,3R,4S,5R,6S,7S)-1-[(E)-4-acetyloxy-5-methyl-8-phenyloct-7-enyl]-4,7-dihydroxy-6-(9-phenylnonanoyloxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Manual XrefsDatabases
78437317ChemSpider