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CHEBI:209630 - Trematosphone A

ChEBI IDCHEBI:209630
ChEBI NameTrematosphone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O8
Net Charge0
Average Mass366.366
Monoisotopic Mass366.13147
SMILESCOC1=CC(=O)[C@@]2(C)O[C@]3(OC)[C@H]4C(=O)[C@](C)(O)C(=O)[C@]3(C)[C@]1(C)[C@]42O
InChIInChI=1S/C18H22O8/c1-13(22)11(20)10-17(23)14(2)9(24-5)7-8(19)16(17,4)26-18(10,25-6)15(14,3)12(13)21/h7,10,22-23H,1-6H3/t10-,13-,14+,15+,16+,17+,18+/m0/s1
InChIKeyHNQLWQXHOUZHRB-AAPQROMHSA-N
Species of MetaboliteComponentSourceComments
Lophiostoma terricola (ncbitaxon:1283760) - PubMed (30855149)
ChEBI Ontology
Outgoing Relation(s)
Trematosphone A (CHEBI:209630) is a ketal (CHEBI:59777)
IUPAC Name 
(1S,2R,4S,8R,9R,10R,12S)-9,12-dihydroxy-2,7-dimethoxy-1,4,8,12-tetramethyl-3-oxatetracyclo[6.5.0.02,10.04,9]tridec-6-ene-5,11,13-trione