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CHEBI:221591 - Gynuellalide

ChEBI IDCHEBI:221591
ChEBI NameGynuellalide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H60O12
Net Charge0
Average Mass720.897
Monoisotopic Mass720.40848
SMILESC=C1CC(CC(O)C(C)C(O)CC(O)C(C)(C)C(O)C/C(C)=C/C(O)C2OC3CC(C)=CC4CC(CCC/C=C/C(=O)OC2C3)OC4O)OC1=O
InChIInChI=1S/C39H60O12/c1-21-12-25-17-26(49-38(25)47)10-8-7-9-11-35(45)51-32-19-27(13-21)48-36(32)31(42)14-22(2)15-33(43)39(5,6)34(44)20-30(41)24(4)29(40)18-28-16-23(3)37(46)50-28/h9,11-12,14,24-34,36,38,40-44,47H,3,7-8,10,13,15-20H2,1-2,4-6H3/b11-9+,21-12?,22-14+
InChIKeyLVHSUTYBNXAATD-RNLQRBKUSA-N
Species of MetaboliteComponentSourceComments
Gynuella sunshinyii (ncbitaxon:1445505) - PubMed (33658492)
ChEBI Ontology
Outgoing Relation(s)
Gynuellalide (CHEBI:221591) is a macrolide (CHEBI:25106)