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CHEBI:170875 - Squamoxinone

ChEBI IDCHEBI:170875
ChEBI NameSquamoxinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H68O7
Net Charge0
Average Mass624.944
Monoisotopic Mass624.49650
SMILES[H][C@]1([C@H](O)CCCCCCCCCCCC)CC[C@]([H])([C@H](O)CCCCC[C@@H](O)CCCCCC[C@@H]2CC(CC(C)=O)C(=O)O2)O1
InChIInChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-18-23-33(40)35-25-26-36(44-35)34(41)24-19-14-16-21-31(39)20-15-12-13-17-22-32-28-30(27-29(2)38)37(42)43-32/h30-36,39-41H,3-28H2,1-2H3/t30?,31-,32+,33+,34+,35+,36+/m0/s1
InChIKeyJQYLOYZQPAYVNC-HNTZCAITSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Squamoxinone (CHEBI:170875) is a polyketide (CHEBI:26188)
IUPAC Name 
(5R)-5-[(7S,13R)-7,13-dihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-3-(2-oxopropyl)oxolan-2-one
Manual XrefsDatabases
8707379ChemSpider