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CHEBI:190795 - Squamotacin

ChEBI IDCHEBI:190795
ChEBI NameSquamotacin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H66O7
Net Charge0
Average Mass622.928
Monoisotopic Mass622.48085
SMILES[H][C@]1([C@@H](O)CCCCCCCCCCCC)CC[C@]([H])([C@@]2([H])CCC([C@H](O)CCCCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)O2)O1
InChIInChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-11-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31-,32+,33+,34?,35+,36+/m0/s1
InChIKeyGXZZLWVQYXFTJE-DACSEHCNSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
Squamotacin (CHEBI:190795) is a polyketide (CHEBI:26188)
IUPAC Name 
(2S)-4-[(2R,11R)-2,11-dihydroxy-11-[(5R)-5-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-2-methyl-2H-uran-5-one
Manual XrefsDatabases
154365ChemSpider
Registry NumbersSources
CAS:174158-66-8ChemIDplus