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CHEBI:202020 - NG-391

ChEBI IDCHEBI:202020
ChEBI NameNG-391
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27NO7
Net Charge0
Average Mass417.458
Monoisotopic Mass417.17875
SMILESC/C=C(\C=C(C)\C=C\C=C\C=C(/C)C(=O)[C@]12O[C@H]1[C@@](O)(CCO)NC2=O)C(=O)OC
InChIInChI=1S/C22H27NO7/c1-5-16(18(26)29-4)13-14(2)9-7-6-8-10-15(3)17(25)22-19(30-22)21(28,11-12-24)23-20(22)27/h5-10,13,19,24,28H,11-12H2,1-4H3,(H,23,27)/b8-6+,9-7+,14-13+,15-10+,16-5+/t19-,21-,22-/m0/s1
InChIKeyOHWILISHWFHITP-OCKBFZBYSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - PubMed (11776444)
ChEBI Ontology
Outgoing Relation(s)
NG-391 (CHEBI:202020) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (2E,3E,5E,7E,9E)-2-ethylidene-11-[(1R,4S,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate
Manual XrefsDatabases
9341080ChemSpider