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CHEBI:221739 - Mandelalide D

ChEBI IDCHEBI:221739
ChEBI NameMandelalide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O11
Net Charge0
Average Mass636.779
Monoisotopic Mass636.35096
SMILESCCCC(=O)O[C@H]1C[C@H]2C[C@@H](O)C[C@@H](C[C@@H](C)/C=C/C=C\C[C@H]3O[C@H](C[C@H]3C)[C@H](O)C[C@H]3OC(=O)[C@@]1(O)[C@H]3OC(=O)CCC)O2
InChIInChI=1S/C34H52O11/c1-5-10-30(37)44-29-18-24-17-22(35)16-23(41-24)14-20(3)12-8-7-9-13-26-21(4)15-27(42-26)25(36)19-28-32(45-31(38)11-6-2)34(29,40)33(39)43-28/h7-9,12,20-29,32,35-36,40H,5-6,10-11,13-19H2,1-4H3/b9-7-,12-8+/t20-,21+,22-,23+,24+,25+,26+,27+,28+,29-,32-,34-/m0/s1
InChIKeyVTRLEAAMYYAHOD-CEZVDCKESA-N
Species of MetaboliteComponentSourceComments
Candidatus Didemnitutus mandela (ncbitaxon:2055843) - PubMed (29181447)
ChEBI Ontology
Outgoing Relation(s)
Mandelalide D (CHEBI:221739) is a macrolide (CHEBI:25106)
IUPAC Name 
[(1R,3S,4S,7R,9R,10R,12R,13R,15Z,17E,19R,21R,23S,27S)-27-butanoyloxy-4,9,23-trihydroxy-12,19-dimethyl-5-oxo-6,25,26-trioxatetracyclo[19.3.1.14,7.110,13]heptacosa-15,17-dien-3-yl] butanoate
Manual XrefsDatabases
29214879ChemSpider