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CHEBI:214146 - Zaragozic acid E

ChEBI IDCHEBI:214146
ChEBI NameZaragozic acid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H50O12
Net Charge0
Average Mass722.828
Monoisotopic Mass722.33023
SMILESCC(/C=C/CCC(=O)O[C@@H]1[C@@H](O)C2(CC/C=C/C(C)CCCc3ccccc3)OC(C(=O)O)C(O)(C(=O)O)C1(C(=O)O)O2)CCCc1ccccc1
InChIInChI=1S/C40H50O12/c1-27(17-13-23-29-19-5-3-6-20-29)15-9-10-25-31(41)50-33-32(42)38(26-12-11-16-28(2)18-14-24-30-21-7-4-8-22-30)51-34(35(43)44)39(49,36(45)46)40(33,52-38)37(47)48/h3-9,11,15-16,19-22,27-28,32-34,42,49H,10,12-14,17-18,23-26H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)/b15-9+,16-11+/t27?,28?,32-,33-,34?,38?,39?,40?/m1/s1
InChIKeyHPNWHOBVFZEFCZ-RMZZEEJUSA-N
Species of MetaboliteComponentSourceComments
Leptodontidium elatius (ncbitaxon:187858) - DOI (10.1021/np960003i)
ChEBI Ontology
Outgoing Relation(s)
Zaragozic acid E (CHEBI:214146) has functional parent tetracarboxylic acid (CHEBI:35742)
Zaragozic acid E (CHEBI:214146) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(6R,7R)-4,7-dihydroxy-6-[(E)-6-methyl-9-phenylnon-4-enoyl]oxy-1-[(E)-5-methyl-8-phenyloct-3-enyl]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
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78445560ChemSpider