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CHEBI:210330 - (2R)-N-{(1S,2R,3E,7E)-1-[(beta-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methylhexadeca-3,7-dien-1-yl}-2-hydroxyheneicosanamide

ChEBI IDCHEBI:210330
ChEBI Name(2R)-N-{(1S,2R,3E,7E)-1-[(beta-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methylhexadeca-3,7-dien-1-yl}-2-hydroxyheneicosanamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H85NO9
Net Charge0
Average Mass784.173
Monoisotopic Mass783.62243
SMILESCCCCCCCCCCCCCCCCCCC[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/C45H85NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-24-28-33-39(49)44(53)46-37(35-54-45-43(52)42(51)41(50)40(34-47)55-45)38(48)32-29-25-27-31-36(3)30-26-23-11-9-7-5-2/h29,31-32,37-43,45,47-52H,4-28,30,33-35H2,1-3H3,(H,46,53)/b32-29+,36-31+/t37-,38+,39+,40+,41+,42-,43+,45+/m0/s1
InChIKeyPXPMJITWWNPJHH-OSOIEDSXSA-N
Species of MetaboliteComponentSourceComments
Tuber indicum (ncbitaxon:55307) - DOI (10.1002/hlca.201200235)
ChEBI Ontology
Outgoing Relation(s)
(2R)-N-{(1S,2R,3E,7E)-1-[(beta-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methylhexadeca-3,7-dien-1-yl}-2-hydroxyheneicosanamide (CHEBI:210330) 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]henicosanamide
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