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CHEBI:224159 - Cochliobolin E

ChEBI IDCHEBI:224159
ChEBI NameCochliobolin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H38O8
Net Charge0
Average Mass442.549
Monoisotopic Mass442.25667
SMILESCC(=O)OC[C@H]1[C@H]2C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(C)[C@]1(C)CC[C@@H]2C(C)C
InChIInChI=1S/C23H38O8/c1-11(2)14-6-7-23(5)12(3)15(18(14)16(23)10-29-13(4)25)9-30-22-21(28)20(27)19(26)17(8-24)31-22/h11,14,16-22,24,26-28H,6-10H2,1-5H3/t14-,16+,17-,18-,19-,20+,21-,22-,23+/m1/s1
InChIKeyPXUHLXASABJKID-OQNHRDNZSA-N
Species of MetaboliteComponentSourceComments
Bipolaris sorokiniana (ncbitaxon:45130) - PubMed (32302133)
ChEBI Ontology
Outgoing Relation(s)
Cochliobolin E (CHEBI:224159) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
[(1R,4R,5S,8S)-1,7-dimethyl-4-propan-2-yl-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-8-bicyclo[3.2.1]oct-6-enyl]methyl acetate