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CHEBI:226782 - Phyllostictone B

Default Structure
ChEBI IDCHEBI:226782
ChEBI NamePhyllostictone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O5
Net Charge0
Average Mass308.374
Monoisotopic Mass308.16237
SMILESCC1(C)OC2=C(C[C@H]3[C@H]1CC[C@@]3(C)O)C(=O)[C@@H]1C[C@@]2(O)CO1
InChIInChI=1S/C17H24O5/c1-15(2)10-4-5-16(3,19)11(10)6-9-13(18)12-7-17(20,8-21-12)14(9)22-15/h10-12,19-20H,4-8H2,1-3H3/t10-,11+,12+,16-,17-/m1/s1
InChIKeyKDWYXJJNXMCBCX-PRNVEUERSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta capitalensis (ncbitaxon:121624) - DOI (10.1016/j.tet.2019.07.003)
ChEBI Ontology
Outgoing Relation(s)
Phyllostictone B (CHEBI:226782) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,5R,8R,9S,13S)-1,8-dihydroxy-4,4,8-trimethyl-3,14-dioxatetracyclo[11.2.1.02,11.05,9]hexadec-2(11)-en-12-one