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CHEBI:222525 - Gigantenone

ChEBI IDCHEBI:222525
ChEBI NameGigantenone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESC[C@H]1[C@H](O)CCC2=CC(=O)[C@]3([C@@]4(C)CO4)O[C@@H]3[C@@]21C
InChIInChI=1S/C15H20O4/c1-8-10(16)5-4-9-6-11(17)15(13(2)7-18-13)12(19-15)14(8,9)3/h6,8,10,12,16H,4-5,7H2,1-3H3/t8-,10+,12+,13+,14+,15-/m0/s1
InChIKeyHKPKDBKOAYLOQF-OCZRQZLOSA-N
Species of MetaboliteComponentSourceComments
Bipolaris gigantea (ncbitaxon:2695822) - DOI (10.1007/BF01954070)
ChEBI Ontology
Outgoing Relation(s)
Gigantenone (CHEBI:222525) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1aS,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-1a-[(2R)-2-methyloxiran-2-yl]-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one
Manual XrefsDatabases
156916ChemSpider