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CHEBI:167212 - Lyciumoside I

ChEBI IDCHEBI:167212
ChEBI NameLyciumoside I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H54O12
Net Charge0
Average Mass630.772
Monoisotopic Mass630.36153
SMILESC=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C32H54O12/c1-6-32(5,44-31-29(40)27(38)25(36)23(17-34)43-31)15-9-14-20(3)11-7-10-19(2)12-8-13-21(4)18-41-30-28(39)26(37)24(35)22(16-33)42-30/h6,10,13-14,22-31,33-40H,1,7-9,11-12,15-18H2,2-5H3/b19-10+,20-14+,21-13-/t22-,23-,24-,25-,26+,27+,28-,29-,30-,31+,32-/m1/s1
InChIKeyHQUVEBJUUSKUCJ-VLUPPCEVSA-N
Species of MetaboliteComponentSourceComments
Nicotiana attenuata (ncbitaxon:49451) leaf (BTO:0000713) MetaboLights (MTBLS1819) Strain: Nicotiana attenuata Torr. ex. Watts
ChEBI Ontology
Outgoing Relation(s)
Lyciumoside I (CHEBI:167212) is a disaccharide derivative (CHEBI:63353)
Lyciumoside I (CHEBI:167212) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2Z,6E,10E,14S)-2,6,10,14-tetramethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoxy]oxane-3,4,5-triol
Manual XrefsDatabases
8502137ChemSpider