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CHEBI:209125 - 10-Oxodihydrobotry-1(9),4(5)-diendial

Default Structure
ChEBI IDCHEBI:209125
ChEBI Name10-Oxodihydrobotry-1(9),4(5)-diendial
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O2
Net Charge0
Average Mass232.323
Monoisotopic Mass232.14633
SMILESC[C@@H]1CC=C2C3=C1C(=O)OC[C@@]3(C)CC2(C)C
InChIInChI=1S/C15H20O2/c1-9-5-6-10-12-11(9)13(16)17-8-15(12,4)7-14(10,2)3/h6,9H,5,7-8H2,1-4H3/t9-,15-/m1/s1
InChIKeyPCEVLQFNPPWJEB-RFAUZJTJSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - PubMed (12444715)
ChEBI Ontology
Outgoing Relation(s)
10-Oxodihydrobotry-1(9),4(5)-diendial (CHEBI:209125) is a pyranone (CHEBI:37963)
IUPAC Name 
(4S,9R)-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12)-dien-7-one
Manual XrefsDatabases
9981205ChemSpider