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CHEBI:211140 - Xylarenone B

Default Structure
ChEBI IDCHEBI:211140
ChEBI NameXylarenone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILESC=C(COC(C)=O)[C@@]12O[C@@H]1[C@@]1(C)C(=CC2=O)[C@H](O)CC[C@@H]1C
InChIInChI=1S/C17H22O5/c1-9-5-6-13(19)12-7-14(20)17(10(2)8-21-11(3)18)15(22-17)16(9,12)4/h7,9,13,15,19H,2,5-6,8H2,1,3-4H3/t9-,13+,15+,16+,17-/m0/s1
InChIKeyXPBYFVXUSZCMJO-XXFLZMBESA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - DOI (10.1002/hlca.200890011)
ChEBI Ontology
Outgoing Relation(s)
Xylarenone B (CHEBI:211140) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(1aR,4R,7S,7aR,7bR)-4-hydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl]prop-2-enyl acetate
Manual XrefsDatabases
78441312ChemSpider