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CHEBI:222085 - A-O-Methyldihydrobotrydialone

ChEBI IDCHEBI:222085
ChEBI NameA-O-Methyldihydrobotrydialone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O6
Net Charge0
Average Mass340.416
Monoisotopic Mass340.18859
SMILESCO[C@@H]1OC(=O)[C@@]2(C)CC(C)(C)[C@@H]3[C@@H](OC(C)=O)C[C@@H](C)[C@H]1[C@@]32O
InChIInChI=1S/C18H28O6/c1-9-7-11(23-10(2)19)13-16(3,4)8-17(5)15(20)24-14(22-6)12(9)18(13,17)21/h9,11-14,21H,7-8H2,1-6H3/t9-,11+,12-,13+,14-,17-,18-/m1/s1
InChIKeyGOGNSPHNRCZEML-RIVVHQBZSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - DOI (10.1016/0031-9422(94)00690-u)
ChEBI Ontology
Outgoing Relation(s)
A-O-Methyldihydrobotrydialone (CHEBI:222085) is a δ-lactone (CHEBI:18946)
IUPAC Name 
[(1R,4S,7R,8S,9R,11S,12S)-12-hydroxy-7-methoxy-2,2,4,9-tetramethyl-5-oxo-6-oxatricyclo[6.3.1.04,12]dodecan-11-yl] acetate
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78442665ChemSpider