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CHEBI:205247 - Gulmirecin B

ChEBI IDCHEBI:205247
ChEBI NameGulmirecin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O9
Net Charge0
Average Mass442.505
Monoisotopic Mass442.22028
SMILESCC=C(C)C1CC=C(C)C(OC2OC(CO)C(O)C2O)C(O)C(=O)CCC(C)C(=O)O1
InChIInChI=1S/C22H34O9/c1-5-11(2)15-9-7-12(3)20(31-22-19(27)18(26)16(10-23)30-22)17(25)14(24)8-6-13(4)21(28)29-15/h5,7,13,15-20,22-23,25-27H,6,8-10H2,1-4H3
InChIKeyCHKQEDFOMALSCO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pyxidicoccus (ncbitaxon:224458) - PubMed (25287056)
ChEBI Ontology
Outgoing Relation(s)
Gulmirecin B (CHEBI:205247) is a macrolide (CHEBI:25106)
IUPAC Name 
12-but-2-en-2-yl-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-7-hydroxy-3,9-dimethyl-1-oxacyclododec-9-ene-2,6-dione