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CHEBI:221733 - Mandelalide C

ChEBI IDCHEBI:221733
ChEBI NameMandelalide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O10
Net Charge0
Average Mass538.634
Monoisotopic Mass538.27780
SMILESCC(=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]3O)O2
InChIInChI=1S/C28H42O10/c1-15-7-5-4-6-8-22-16(2)10-23(37-22)21(31)14-24-26(32)28(34,27(33)38-24)25(35-17(3)29)13-20-12-18(30)11-19(9-15)36-20/h4-7,15-16,18-26,30-32,34H,8-14H2,1-3H3/b6-4-,7-5+/t15-,16+,18-,19+,20+,21+,22+,23+,24+,25-,26-,28-/m0/s1
InChIKeyAJLATFUSRAYDMR-HRWQENBOSA-N
Species of MetaboliteComponentSourceComments
Candidatus Didemnitutus mandela (ncbitaxon:2055843) - PubMed (29181447)
ChEBI Ontology
Outgoing Relation(s)
Mandelalide C (CHEBI:221733) is a macrolide (CHEBI:25106)
IUPAC Name 
[(1R,3S,4R,7R,9R,10R,12R,13R,15Z,17E,19R,21R,23S,27S)-4,9,23,27-tetrahydroxy-12,19-dimethyl-5-oxo-6,25,26-trioxatetracyclo[19.3.1.14,7.110,13]heptacosa-15,17-dien-3-yl] acetate