EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200002 - Zaragozic acid F

ChEBI IDCHEBI:200002
ChEBI NameZaragozic acid F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H54O14
Net Charge0
Average Mass734.836
Monoisotopic Mass734.35136
SMILESCCCCCCCC(CCCC12OC(C(=O)O)C(O)(C(=O)O)C(C(=O)O)(O1)[C@H](OC(=O)CC/C=C/C(C)CCCc1ccccc1)[C@H]2O)OC(C)=O
InChIInChI=1S/C38H54O14/c1-4-5-6-7-11-21-28(49-26(3)39)22-15-24-36-30(41)31(38(52-36,35(46)47)37(48,34(44)45)32(51-36)33(42)43)50-29(40)23-13-12-16-25(2)17-14-20-27-18-9-8-10-19-27/h8-10,12,16,18-19,25,28,30-32,41,48H,4-7,11,13-15,17,20-24H2,1-3H3,(H,42,43)(H,44,45)(H,46,47)/b16-12+/t25?,28?,30-,31-,32?,36?,37?,38?/m1/s1
InChIKeyMHFHDQKIUPUUFH-FSOWQVJISA-N
Species of MetaboliteComponentSourceComments
Leptodontidium elatius (ncbitaxon:187858) - DOI (10.1021/np960003i)
ChEBI Ontology
Outgoing Relation(s)
Zaragozic acid F (CHEBI:200002) has functional parent hexacarboxylic acid (CHEBI:59359)
Zaragozic acid F (CHEBI:200002) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(6R,7R)-1-(4-acetyloxyundecyl)-4,7-dihydroxy-6-[(E)-6-methyl-9-phenylnon-4-enoyl]oxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Manual XrefsDatabases
78443774ChemSpider