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CHEBI:198214 - Zaragozic acid F-10863A

ChEBI IDCHEBI:198214
ChEBI NameZaragozic acid F-10863A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H50O14
Net Charge0
Average Mass766.837
Monoisotopic Mass766.32006
SMILESCC(=O)OC(CCCC12O[C@H](C(=O)O)[C@@](O)(C(=O)O)C(C(=O)O)(O1)[C@H](OC(=O)CCCCCC/C=C/c1ccccc1)[C@H]2O)C(C)C/C=C/c1ccccc1
InChIInChI=1S/C41H50O14/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/h7-13,15,18-23,27,31,33-35,44,51H,3-6,14,16-17,24-26H2,1-2H3,(H,45,46)(H,47,48)(H,49,50)/b18-9+,23-15+/t27?,31?,33-,34-,35-,39?,40-,41?/m1/s1
InChIKeyDAIUNLCLMAJMGY-HJWTWWBJSA-N
Species of MetaboliteComponentSourceComments
Mollisia (ncbitaxon:86026) - PubMed (9207908)
ChEBI Ontology
Outgoing Relation(s)
Zaragozic acid F-10863A (CHEBI:198214) has functional parent hexacarboxylic acid (CHEBI:59359)
Zaragozic acid F-10863A (CHEBI:198214) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,4S,6R,7R)-1-[(E)-4-acetyloxy-5-methyl-8-phenyloct-7-enyl]-4,7-dihydroxy-6-[(E)-9-phenylnon-8-enoyl]oxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
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78445018ChemSpider