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CHEBI:225112 - [(3R,6S)-6-hydroxy-12-methyl-2,5-dioxo-oxacyclododec-3-yl] 4,11-dihydroxydodec-2-enoate

ChEBI IDCHEBI:225112
ChEBI Name[(3R,6S)-6-hydroxy-12-methyl-2,5-dioxo-oxacyclododec-3-yl] 4,11-dihydroxydodec-2-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O8
Net Charge0
Average Mass456.576
Monoisotopic Mass456.27232
SMILESCC(O)CCCCCCC(O)C=CC(=O)O[C@@H]1CC(=O)[C@@H](O)CCCCCC(C)OC1=O
InChIInChI=1S/C24H40O8/c1-17(25)10-6-3-4-8-12-19(26)14-15-23(29)32-22-16-21(28)20(27)13-9-5-7-11-18(2)31-24(22)30/h14-15,17-20,22,25-27H,3-13,16H2,1-2H3/t17?,18?,19?,20-,22+/m0/s1
InChIKeyHZLJAFNAFLNMKB-XWCYNJGWSA-N
Species of MetaboliteComponentSourceComments
Cladosporium (ncbitaxon:5498) - PubMed (23909809)
ChEBI Ontology
Outgoing Relation(s)
[(3R,6S)-6-hydroxy-12-methyl-2,5-dioxo-oxacyclododec-3-yl] 4,11-dihydroxydodec-2-enoate (CHEBI:225112) is a macrolide (CHEBI:25106)
IUPAC Name 
[(3R,6S)-6-hydroxy-12-methyl-2,5-dioxo-oxacyclododec-3-yl] 4,11-dihydroxydodec-2-enoate