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CHEBI:181586 - (2R,3R,4S,5S,6R)-2-[6-hydroxy-3-[(E)-3-hydroxybut-1-enyl]-2,4,4-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

ChEBI IDCHEBI:181586
ChEBI Name(2R,3R,4S,5S,6R)-2-[6-hydroxy-3-[(E)-3-hydroxybut-1-enyl]-2,4,4-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H34O8
Net Charge0
Average Mass390.473
Monoisotopic Mass390.22537
SMILESCC(O)/C=C/C1C(C)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)CC1(C)C
InChIInChI=1S/C19H34O8/c1-9(21)5-6-11-10(2)17(12(22)7-19(11,3)4)27-18-16(25)15(24)14(23)13(8-20)26-18/h5-6,9-18,20-25H,7-8H2,1-4H3/b6-5+/t9?,10?,11?,12?,13-,14-,15+,16-,17?,18+/m1/s1
InChIKeyFPWYMVMNRFRHQC-BVWWHRDXSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4S,5S,6R)-2-[6-hydroxy-3-[(E)-3-hydroxybut-1-enyl]-2,4,4-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CHEBI:181586) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(2R,3R,4S,5S,6R)-2-[6-hydroxy-3-[(E)-3-hydroxybut-1-enyl]-2,4,4-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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