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CHEBI:200107 - (2S,3R,4E,8E)-1-(beta-D-glucopyranosyl)-3-hydroxy-2-[(R)-2′-hydroxyhexadecanoyl]amino-9-methyl-4,8-heptadecadiene

ChEBI IDCHEBI:200107
ChEBI Name(2S,3R,4E,8E)-1-(beta-D-glucopyranosyl)-3-hydroxy-2-[(R)-2′-hydroxyhexadecanoyl]amino-9-methyl-4,8-heptadecadiene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H75NO9
Net Charge0
Average Mass714.038
Monoisotopic Mass713.54418
SMILESCCCCCCCCCCCCCC[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/C40H75NO9/c1-4-6-8-10-12-13-14-15-16-17-19-23-28-34(44)39(48)41-32(30-49-40-38(47)37(46)36(45)35(29-42)50-40)33(43)27-24-20-22-26-31(3)25-21-18-11-9-7-5-2/h24,26-27,32-38,40,42-47H,4-23,25,28-30H2,1-3H3,(H,41,48)/b27-24+,31-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1
InChIKeyWKGKTCZJBHEBEX-UGYAIEHASA-N
Species of MetaboliteComponentSourceComments
Cortinarius lucorum (ncbitaxon:323716) - DOI (10.1007/s11745-003-1113-x)
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4E,8E)-1-(beta-D-glucopyranosyl)-3-hydroxy-2-[(R)-2′-hydroxyhexadecanoyl]amino-9-methyl-4,8-heptadecadiene (CHEBI:200107) is a O-acyl carbohydrate (CHEBI:52782)
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]oxyheptadeca-4,8-dien-2-yl]hexadecanamide
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78440810ChemSpider