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CHEBI:226096 - Xylarenone F

ChEBI IDCHEBI:226096
ChEBI NameXylarenone F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O6
Net Charge0
Average Mass450.616
Monoisotopic Mass450.29814
SMILESCCC(C)CC(C)CC(O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@@H](C)CO)C(=O)C=C12
InChIInChI=1S/C26H42O6/c1-7-16(2)10-17(3)12-26(31,15-28)24(30)32-23-9-8-19(5)25(6)13-20(18(4)14-27)22(29)11-21(23)25/h11,13,16-19,23,27-28,31H,7-10,12,14-15H2,1-6H3/t16?,17?,18-,19-,23+,25+,26?/m0/s1
InChIKeyBGVIFZCMSUQDTG-HOFJSUAUSA-N
Species of MetaboliteComponentSourceComments
Camaropsspecies (ncbitaxon:1933436) - PubMed (24588269)
ChEBI Ontology
Outgoing Relation(s)
Xylarenone F (CHEBI:226096) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1R,4S,4aS)-6-[(2R)-1-hydroxypropan-2-yl]-4,4a-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-1-yl] 2-hydroxy-2-(hydroxymethyl)-4,6-dimethyloctanoate
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