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CHEBI:226797 - Phyllostictone E

ChEBI IDCHEBI:226797
ChEBI NamePhyllostictone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O5
Net Charge0
Average Mass310.390
Monoisotopic Mass310.17802
SMILESCO[C@H]1C[C@@H](O)C(=O)C2=C1O[C@]1(C)CC[C@@H](C(C)(C)O)[C@@H]1C2
InChIInChI=1S/C17H26O5/c1-16(2,20)10-5-6-17(3)11(10)7-9-14(19)12(18)8-13(21-4)15(9)22-17/h10-13,18,20H,5-8H2,1-4H3/t10-,11+,12-,13+,17-/m1/s1
InChIKeyOLBKIRGWBSBUEY-DMGVNNLFSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta capitalensis (ncbitaxon:121624) - DOI (10.1016/j.tet.2019.07.003)
ChEBI Ontology
Outgoing Relation(s)
Phyllostictone E (CHEBI:226797) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,3aR,5S,7R,9aS)-7-hydroxy-1-(2-hydroxypropan-2-yl)-5-methoxy-3a-methyl-1,2,3,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8-one