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CHEBI:197645 - Zaragozic acid D2

ChEBI IDCHEBI:197645
ChEBI NameZaragozic acid D2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H50O14
Net Charge0
Average Mass706.782
Monoisotopic Mass706.32006
SMILESCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@]2(CCCC(OC(C)=O)C(C)C/C=C/c3ccccc3)O[C@H](C(=O)O)[C@@](O)(C(=O)O)[C@]1(C(=O)O)O2
InChIInChI=1S/C36H50O14/c1-4-5-6-7-8-9-13-21-27(38)48-29-28(39)34(49-30(31(40)41)35(46,32(42)43)36(29,50-34)33(44)45)22-15-20-26(47-24(3)37)23(2)16-14-19-25-17-11-10-12-18-25/h10-12,14,17-19,23,26,28-30,39,46H,4-9,13,15-16,20-22H2,1-3H3,(H,40,41)(H,42,43)(H,44,45)/b19-14+/t23?,26?,28-,29-,30-,34+,35-,36+/m1/s1
InChIKeyWDLYATMIWWDJQY-FYSMYQDTSA-N
Species of MetaboliteComponentSourceComments
Amauroascus niger (ncbitaxon:89421) - PubMed (8289063)
ChEBI Ontology
Outgoing Relation(s)
Zaragozic acid D2 (CHEBI:197645) has functional parent hexacarboxylic acid (CHEBI:59359)
Zaragozic acid D2 (CHEBI:197645) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,3S,4S,5R,6R,7R)-1-[(E)-4-acetyloxy-5-methyl-8-phenyloct-7-enyl]-6-decanoyloxy-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
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8072167ChemSpider