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CHEBI:181082 - 8-hydroxy-1,5-dimethyl-8-[(E)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-6-oxabicyclo[3.2.1]octan-3-one

ChEBI IDCHEBI:181082
ChEBI Name8-hydroxy-1,5-dimethyl-8-[(E)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-6-oxabicyclo[3.2.1]octan-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O9
Net Charge0
Average Mass402.440
Monoisotopic Mass402.18898
SMILESCC(/C=C/C1(O)C2(C)COC1(C)CC(=O)C2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H30O9/c1-10(27-16-15(24)14(23)13(22)12(8-20)28-16)4-5-19(25)17(2)6-11(21)7-18(19,3)26-9-17/h4-5,10,12-16,20,22-25H,6-9H2,1-3H3/b5-4+/t10?,12-,13-,14+,15-,16-,17?,18?,19?/m1/s1
InChIKeyAQDQRSAVDNFBEA-HKMVGJDTSA-N
ChEBI Ontology
Outgoing Relation(s)
8-hydroxy-1,5-dimethyl-8-[(E)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-6-oxabicyclo[3.2.1]octan-3-one (CHEBI:181082) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
8-hydroxy-1,5-dimethyl-8-[(E)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-6-oxabicyclo[3.2.1]octan-3-one
Manual XrefsDatabases
29814195ChemSpider