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CHEBI:217419 - Alternaroside A

ChEBI IDCHEBI:217419
ChEBI NameAlternaroside A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC43H77NO10
Net Charge0
Average Mass768.086
Monoisotopic Mass767.55475
SMILESC=C(CCCCCCCCC)C(=O)CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)/C=C/CCCCCCCCCCCCCC
InChIInChI=1S/C43H77NO10/c1-4-6-8-10-12-13-14-15-16-17-18-20-22-24-30-37(48)42(52)44-34(32-53-43-41(51)40(50)39(49)38(31-45)54-43)36(47)29-26-25-28-35(46)33(3)27-23-21-19-11-9-7-5-2/h24,26,29-30,34,36-41,43,45,47-51H,3-23,25,27-28,31-32H2,1-2H3,(H,44,52)/b29-26+,30-24+/t34-,36+,37+,38+,39+,40-,41+,43+/m0/s1
InChIKeyMFDPZDJWPLVIDT-GOHCNHTRSA-N
Species of MetaboliteComponentSourceComments
Alternaria japonica (ncbitaxon:119919) - PubMed (19685913)
ChEBI Ontology
Outgoing Relation(s)
Alternaroside A (CHEBI:217419) is a glycosylceramide (CHEBI:62941)
IUPAC Name 
(E,2R)-2-hydroxy-N-[(E,2S,3R)-3-hydroxy-9-methylidene-8-oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]octadec-3-enamide
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