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CHEBI:219208 - Trehangelin A

ChEBI IDCHEBI:219208
ChEBI NameTrehangelin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O13
Net Charge0
Average Mass506.501
Monoisotopic Mass506.19994
SMILESC/C=C(/C)C(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OC(=O)/C(C)=C\C)[C@H]2O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C22H34O13/c1-5-9(3)19(29)33-17-13(25)11(7-23)31-21(15(17)27)35-22-16(28)18(14(26)12(8-24)32-22)34-20(30)10(4)6-2/h5-6,11-18,21-28H,7-8H2,1-4H3/b9-5-,10-6-/t11-,12-,13-,14-,15-,16-,17+,18+,21-,22-/m1/s1
InChIKeyGOCSEFUZLXEMPL-GJTGNFPESA-N
Species of MetaboliteComponentSourceComments
Polymorphospora (ncbitaxon:338583) - PubMed (23591606)
ChEBI Ontology
Outgoing Relation(s)
Trehangelin A (CHEBI:219208) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(Z)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] (Z)-2-methylbut-2-enoate