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CHEBI:219222 - Trehangelin C

ChEBI IDCHEBI:219222
ChEBI NameTrehangelin C
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](O[C@H]2O[C@H](CO)[C@@H](OC(=O)/C(C)=C\C)[C@H](O)[C@H]2O)O[C@@H]1CO
InChIInChI=1S/C22H34O13/c1-5-9(3)19(29)33-17-11(7-23)31-21(15(27)13(17)25)35-22-16(28)14(26)18(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
InChIKeyFJOHNHZOAYDWJK-WOQQSUIUSA-N
Species of MetaboliteComponentSourceComments
Polymorphospora (ncbitaxon:338583) - PubMed (23591606)
ChEBI Ontology
Outgoing Relation(s)
Trehangelin C (CHEBI:219222) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(2R,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(Z)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (Z)-2-methylbut-2-enoate