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CHEBI:182076 - (3R,3As,6Z,9S,10E,11aS)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one

ChEBI IDCHEBI:182076
ChEBI Name(3R,3As,6Z,9S,10E,11aS)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O8
Net Charge0
Average Mass412.479
Monoisotopic Mass412.20972
SMILES[H][C@@]12/C=C(\C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C/C=C(/C)CC[C@@]1([H])[C@@H](C)C(=O)O2
InChIInChI=1S/C21H32O8/c1-10-4-6-13-12(3)20(26)27-15(13)8-11(2)14(7-5-10)28-21-19(25)18(24)17(23)16(9-22)29-21/h5,8,12-19,21-25H,4,6-7,9H2,1-3H3/b10-5-,11-8+/t12-,13+,14+,15-,16-,17-,18+,19-,21-/m1/s1
InChIKeyOWPORVMZZJAHEF-NBIROBILSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,3As,6Z,9S,10E,11aS)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one (CHEBI:182076) is a germacranolide (CHEBI:73011)
IUPAC Name 
(3R,3aS,6Z,9S,10E,11aS)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]uran-2-one