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CHEBI:192236 - Squamosten A

ChEBI IDCHEBI:192236
ChEBI NameSquamosten A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H66O7
Net Charge0
Average Mass622.928
Monoisotopic Mass622.48085
SMILES[H][C@]1([C@H](O)CC/C=C\CCCCCCCCCC)CC[C@]([H])([C@H](O)CC[C@H](O)CCCCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1
InChIInChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(38)20-17-14-13-15-18-21-32(39)28-30-27-29(2)43-37(30)42/h12,16,27,29,31-36,38-41H,3-11,13-15,17-26,28H2,1-2H3/b16-12-/t29-,31+,32+,33+,34+,35+,36+/m0/s1
InChIKeyXHKLAUPULLMCQU-WGNRZNTBSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
Squamosten A (CHEBI:192236) is a polyketide (CHEBI:26188)
IUPAC Name 
(2S)-2-methyl-4-[(2R,10R,13R)-2,10,13-trihydroxy-13-[(2R,5R)-5-[(Z,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2H-uran-5-one
Manual XrefsDatabases
103882455ChemSpider