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CHEBI:23758 - dihydrophaseic acid 4-O-β-D-glucoside

ChEBI IDCHEBI:23758
ChEBI Namedihydrophaseic acid 4-O-β-D-glucoside
Stars
ASCII Namedihydrophaseic acid 4-O-beta-D-glucoside
Last Modified1 May 2007
DownloadsMolfile
FormulaC21H32O10
Net Charge0
Average Mass444.477
Monoisotopic Mass444.19955
SMILESCC(=C/C(=O)O)/C=C/[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2
InChIInChI=1S/C21H32O10/c1-11(6-14(23)24)4-5-21(28)19(2)7-12(8-20(21,3)29-10-19)30-18-17(27)16(26)15(25)13(9-22)31-18/h4-6,12-13,15-18,22,25-28H,7-10H2,1-3H3,(H,23,24)/b5-4+,11-6-/t12-,13+,15+,16-,17+,18+,19+,20+,21-/m0/s1
InChIKeyUHHVHDDICOEBTQ-WTZDRGJSSA-N
ChEBI Ontology
Outgoing Relation(s)
dihydrophaseic acid 4-O-β-D-glucoside (CHEBI:23758) has functional parent phaseic acid (CHEBI:28205)
dihydrophaseic acid 4-O-β-D-glucoside (CHEBI:23758) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(2Z,4E)-5-[(1R,3S,5R,8S)-3-(β-D-glucopyranosyloxy)-8-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-8-yl]-3-methylpenta-2,4-dienoic acid
Registry NumbersSources
Beilstein:6896853Beilstein