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CHEBI:182359 - 5-hydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,6,7,8,8a-hexahydroazulen-2-one

ChEBI IDCHEBI:182359
ChEBI Name5-hydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,6,7,8,8a-hexahydroazulen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O9
Net Charge0
Average Mass430.494
Monoisotopic Mass430.22028
SMILESCC1=C2CC(O)(C(C)(C)O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(C)C2CC1=O
InChIInChI=1S/C21H34O9/c1-9-5-15(30-19-18(26)17(25)16(24)14(8-22)29-19)21(28,20(3,4)27)7-12-10(2)13(23)6-11(9)12/h9,11,14-19,22,24-28H,5-8H2,1-4H3/t9?,11?,14-,15?,16-,17+,18-,19+,21?/m1/s1
InChIKeyHVAVGMDRUJHUOH-UURFWDJCSA-N
ChEBI Ontology
Outgoing Relation(s)
5-hydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,6,7,8,8a-hexahydroazulen-2-one (CHEBI:182359) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
5-hydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,6,7,8,8a-hexahydroazulen-2-one
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