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CHEBI:220317 - Allantoside

ChEBI IDCHEBI:220317
ChEBI NameAllantoside
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FormulaC43H81NO9
Net Charge0
Average Mass756.119
Monoisotopic Mass755.59113
SMILESCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCCCCC
InChIInChI=1S/C43H81NO9/c1-4-6-8-10-12-14-16-18-20-22-26-31-37(47)42(51)44-35(33-52-43-41(50)40(49)39(48)38(32-45)53-43)36(46)30-27-23-25-29-34(3)28-24-21-19-17-15-13-11-9-7-5-2/h27,29-30,35-41,43,45-50H,4-26,28,31-33H2,1-3H3,(H,44,51)/b30-27+,34-29+/t35-,36+,37+,38+,39+,40-,41+,43+/m0/s1
InChIKeyIBCPPKSJOHVFEF-NSWGQNMASA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (27868429)
ChEBI Ontology
Outgoing Relation(s)
Allantoside (CHEBI:220317) is a glycosphingolipid (CHEBI:24402)
IUPAC Name 
(2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhenicosa-4,8-dien-2-yl]pentadecanamide
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