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CHEBI:212705 - O-methyldihydrobotrydial

ChEBI IDCHEBI:212705
ChEBI NameO-methyldihydrobotrydial
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O5
Net Charge0
Average Mass326.433
Monoisotopic Mass326.20932
SMILESCO[C@H]1OC[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/C18H30O5/c1-10-7-12(23-11(2)19)14-16(3,4)8-17(5)9-22-15(21-6)13(10)18(14,17)20/h10,12-15,20H,7-9H2,1-6H3/t10-,12+,13-,14+,15+,17-,18-/m1/s1
InChIKeyVAKKDCDTJWXIKK-ZBLLOSQXSA-N
Species of MetaboliteComponentSourceComments
Botrytis squamosa (ncbitaxon:139640) - DOI (10.1080/00021369.1988.10868908)
ChEBI Ontology
Outgoing Relation(s)
O-methyldihydrobotrydial (CHEBI:212705) is a oxanes (CHEBI:46942)
IUPAC Name 
[(1R,4R,7S,8S,9R,11S,12S)-12-hydroxy-7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodecan-11-yl] acetate
Manual XrefsDatabases
78438012ChemSpider