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CHEBI:197418 - Nuezhenide

ChEBI IDCHEBI:197418
ChEBI NameNuezhenide
Stars
Definitionnatural product found in Fraxinus angustifolia, Syringa vulgaris, and other organisms
Submitterntejera
DownloadsMolfile
FormulaC31H42O17
Net Charge0
Average Mass686.660
Monoisotopic Mass686.24220
SMILESC/C=C1\C(CC(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C31H42O17/c1-3-16-17(18(28(41)42-2)12-45-29(16)48-31-27(40)24(37)22(35)19(11-32)46-31)10-21(34)44-13-20-23(36)25(38)26(39)30(47-20)43-9-8-14-4-6-15(33)7-5-14/h3-7,12,17,19-20,22-27,29-33,35-40H,8-11,13H2,1-2H3/b16-3+/t17?,19-,20-,22-,23-,24+,25+,26-,27-,29+,30-,31+/m1/s1
InChIKeySTKUCSFEBXPTAY-YTECAPLWSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Syringa vulgaris (ncbitaxon:34270) - DOI (10.1007/BF00629789)
Fraxinus excelsior (ncbitaxon:38873) - DOI (10.1016/j.phymed.2010.09.010)
ChEBI Ontology
Outgoing Relation(s)
Nuezhenide (CHEBI:197418) is a saccharolipid (CHEBI:166828)
IUPAC Name 
methyl (5E,6S)-5-ethylidene-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
Manual XrefsDatabases
Q104391255Wikipedia