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CHEBI:211422 - Cordycerebroside B

ChEBI IDCHEBI:211422
ChEBI NameCordycerebroside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H75NO9
Net Charge0
Average Mass726.049
Monoisotopic Mass725.54418
SMILESCCCCCCCCCCCC/C=C/C(O)C(=O)NC(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)/C=C/CC(CC)C/C=C(\C)CCCCCC
InChIInChI=1S/C41H75NO9/c1-5-8-10-12-13-14-15-16-17-18-19-21-25-35(45)40(49)42-33(30-50-41-39(48)38(47)37(46)36(29-43)51-41)34(44)26-22-24-32(7-3)28-27-31(4)23-20-11-9-6-2/h21-22,25-27,32-39,41,43-48H,5-20,23-24,28-30H2,1-4H3,(H,42,49)/b25-21+,26-22+,31-27+/t32?,33?,34?,35?,36-,37-,38+,39-,41-/m1/s1
InChIKeyPIMWBVGFXQUSRP-WKNAPIQKSA-N
Species of MetaboliteComponentSourceComments
Cordyceps militaris (ncbitaxon:73501) - PubMed (31479703)
ChEBI Ontology
Outgoing Relation(s)
Cordycerebroside B (CHEBI:211422) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(E)-N-[(4E,9E)-7-ethyl-3-hydroxy-10-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-4,9-dien-2-yl]-2-hydroxyhexadec-3-enamide