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CHEBI:180933 - 4-[4-(beta-D-glucopyranosyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-3-Buten-2-one

ChEBI IDCHEBI:180933
ChEBI Name4-[4-(beta-D-glucopyranosyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-3-Buten-2-one
Stars
Submittermwilliams
DownloadsMolfile
FormulaC19H30O8
Net Charge0
Average Mass386.441
Monoisotopic Mass386.19407
SMILESCC(=O)C=C=C1C(C)(C)CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)O
InChIInChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(8-19(13,4)25)26-17-16(24)15(23)14(22)12(9-20)27-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11?,12-,14-,15+,16-,17-,19?/m1/s1
InChIKeyOSUSRWMGHUUXBY-OHWUEDFNSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-(beta-D-glucopyranosyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-3-Buten-2-one (CHEBI:180933) is a allenes (CHEBI:37602)
4-[4-(beta-D-glucopyranosyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-3-Buten-2-one (CHEBI:180933) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
4-(2-hydroxy-2,6,6-trimethyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene)but-3-en-2-one