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CHEBI:212090 - Leptolyngbyalide B

ChEBI IDCHEBI:212090
ChEBI NameLeptolyngbyalide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H100O12
Net Charge0
Average Mass977.415
Monoisotopic Mass976.72148
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)OC
InChIInChI=1S/C57H100O12/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-26-54(64)67-46(34-42(6)44(8)66-12)35-48(59)43(7)49(60)37-51(62)56(9,10)50(61)31-41(5)32-52(63)57(11)53-36-47(69-57)30-40(4)29-45(58)28-38(2)27-39(3)33-55(65)68-53/h32-33,38,40,43,45-53,58-63H,6,8,13-31,34-37H2,1-5,7,9-12H3/b39-33?,41-32+
InChIKeyUPAUPXVTMJYUNC-LJANJKOLSA-N
Species of MetaboliteComponentSourceComments
Leptolyngbyaspecies PCC 7375 (ncbitaxon:102129) - PubMed (31308532)
ChEBI Ontology
Outgoing Relation(s)
Leptolyngbyalide B (CHEBI:212090) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
[(15E)-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