EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203981 - Zaragozic acid D

ChEBI IDCHEBI:203981
ChEBI NameZaragozic acid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H46O14
Net Charge0
Average Mass678.728
Monoisotopic Mass678.28876
SMILESCCCCCCCC(=O)O[C@@H]1[C@@H](O)C2(CCC[C@@H](OC(C)=O)[C@H](C)C/C=C/c3ccccc3)O[C@H](C(=O)O)[C@@](O)(C(=O)O)C1(C(=O)O)O2
InChIInChI=1S/C34H46O14/c1-4-5-6-7-11-19-25(36)46-27-26(37)32(47-28(29(38)39)33(44,30(40)41)34(27,48-32)31(42)43)20-13-18-24(45-22(3)35)21(2)14-12-17-23-15-9-8-10-16-23/h8-10,12,15-17,21,24,26-28,37,44H,4-7,11,13-14,18-20H2,1-3H3,(H,38,39)(H,40,41)(H,42,43)/b17-12+/t21-,24-,26-,27-,28-,32?,33-,34?/m1/s1
InChIKeyCGQGIYLITCUENM-FNYWOIRSSA-N
Species of MetaboliteComponentSourceComments
Amauroascus niger (ncbitaxon:89421) - PubMed (8289063)
ChEBI Ontology
Outgoing Relation(s)
Zaragozic acid D (CHEBI:203981) has functional parent hexacarboxylic acid (CHEBI:59359)
Zaragozic acid D (CHEBI:203981) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,4S,6R,7R)-1-[(E,4R,5R)-4-acetyloxy-5-methyl-8-phenyloct-7-enyl]-4,7-dihydroxy-6-octanoyloxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Manual XrefsDatabases
78439673ChemSpider