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CHEBI:220474 - Alternaroside B

ChEBI IDCHEBI:220474
ChEBI NameAlternaroside B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC42H77NO9
Net Charge0
Average Mass740.076
Monoisotopic Mass739.55983
SMILESCCCCCCCCCCCCCC/C=C/[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)CCCCCCCC
InChIInChI=1S/C42H77NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-25-30-36(46)41(50)43-34(32-51-42-40(49)39(48)38(47)37(31-44)52-42)35(45)29-26-22-24-28-33(3)27-23-20-11-9-7-5-2/h25-26,28-30,34-40,42,44-49H,4-24,27,31-32H2,1-3H3,(H,43,50)/b29-26+,30-25+,33-28+/t34-,35+,36+,37+,38+,39-,40+,42+/m0/s1
InChIKeyXYCVJZWQEQFSGR-MXVOGVNUSA-N
Species of MetaboliteComponentSourceComments
Alternaria japonica (ncbitaxon:119919) - PubMed (19685913)
ChEBI Ontology
Outgoing Relation(s)
Alternaroside B (CHEBI:220474) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(E,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]oxyheptadeca-4,8-dien-2-yl]octadec-3-enamide
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24657183ChemSpider