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CHEBI:204997 - 7-O-beta-D-galactosyl-brefeldin A

ChEBI IDCHEBI:204997
ChEBI Name7-O-beta-D-galactosyl-brefeldin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O9
Net Charge0
Average Mass442.505
Monoisotopic Mass442.22028
SMILESC[C@H]1CCCC=C[C@@H]2C[C@H](OC3OC(CO)C(O)C(O)C3O)C[C@H]2[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C22H34O9/c1-12-5-3-2-4-6-13-9-14(10-15(13)16(24)7-8-18(25)29-12)30-22-21(28)20(27)19(26)17(11-23)31-22/h4,6-8,12-17,19-24,26-28H,2-3,5,9-11H2,1H3/b6-4?,8-7+/t12-,13+,14-,15+,16+,17?,19?,20?,21?,22?/m0/s1
InChIKeyWMQPIXSJUDBUIO-SYWMQLFZSA-N
Species of MetaboliteComponentSourceComments
Penicillium brefeldianum (ncbitaxon:1131482) - DOI (10.1021/np50106a020)
ChEBI Ontology
Outgoing Relation(s)
7-O-beta-D-galactosyl-brefeldin A (CHEBI:204997) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,2R,3E,7S,13S,15S)-2-hydroxy-7-methyl-15-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one