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CHEBI:212082 - Leptolyngbyalide A

ChEBI IDCHEBI:212082
ChEBI NameLeptolyngbyalide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H99BrO12
Net Charge0
Average Mass1056.311
Monoisotopic Mass1054.63199
SMILESC=C(CC(CC(O)C(C)C(O)CC(O)C(C)(C)C(O)C/C(C)=C/C(O)C1(C)OC2CC(C)CC(O)CC(C)CC(C)=CC(=O)OC1C2)OC(=O)CCCCCCCCCCCCCCC)/C(=C\Br)OC
InChIInChI=1S/C57H99BrO12/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-54(65)68-45(33-42(6)49(37-58)67-11)34-47(60)43(7)48(61)36-51(63)56(8,9)50(62)30-41(5)31-52(64)57(10)53-35-46(70-57)29-40(4)28-44(59)27-38(2)26-39(3)32-55(66)69-53/h31-32,37-38,40,43-48,50-53,59-64H,6,12-30,33-36H2,1-5,7-11H3/b39-32?,41-31+,49-37+
InChIKeyMWWOEWNPMXIBPQ-FOGJETPCSA-N
Species of MetaboliteComponentSourceComments
Leptolyngbyaspecies PCC 7375 (ncbitaxon:102129) - PubMed (31308532)
ChEBI Ontology
Outgoing Relation(s)
Leptolyngbyalide A (CHEBI:212082) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(1E,15E)-1-bromo-7,9,11,13,17-pentahydroxy-17-(9-hydroxy-5,7,11,15-tetramethyl-3-oxo-2,14-dioxabicyclo[11.2.1]hexadec-4-en-15-yl)-2-methoxy-8,12,12,15-tetramethyl-3-methylideneheptadeca-1,15-dien-5-yl] hexadecanoate