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CHEBI:189261 - (5xi,6alpha,7alpha,9xi,16xi)-16-(beta-D-Glucopyranosyloxy)-6,7,17-trihydroxykauran-19-oic acid

ChEBI IDCHEBI:189261
ChEBI Name(5xi,6alpha,7alpha,9xi,16xi)-16-(beta-D-Glucopyranosyloxy)-6,7,17-trihydroxykauran-19-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O11
Net Charge0
Average Mass530.611
Monoisotopic Mass530.27271
SMILESC[C@]12CCC[C@](C)(C(=O)O)C1C(O)[C@@H](O)C13CC(CCC12)C(CO)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3
InChIInChI=1S/C26H42O11/c1-23-6-3-7-24(2,22(34)35)19(23)18(32)20(33)25-8-12(4-5-14(23)25)26(10-25,11-28)37-21-17(31)16(30)15(29)13(9-27)36-21/h12-21,27-33H,3-11H2,1-2H3,(H,34,35)/t12?,13-,14?,15-,16+,17-,18?,19?,20-,21+,23-,24+,25?,26?/m1/s1
InChIKeyQUCGBWQRLWOVBR-CIWVQATKSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
(5xi,6alpha,7alpha,9xi,16xi)-16-(beta-D-Glucopyranosyloxy)-6,7,17-trihydroxykauran-19-oic acid (CHEBI:189261) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2S,3R,5S,9R)-2,3-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Manual XrefsDatabases
29814329ChemSpider