EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226787 - Phyllostictone C

ChEBI IDCHEBI:226787
ChEBI NamePhyllostictone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILESC=C(CO)[C@@H]1CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@@H]1C[C@@]3(O)CO1
InChIInChI=1S/C17H22O5/c1-9(7-18)10-3-4-16(2)12(10)5-11-14(19)13-6-17(20,8-21-13)15(11)22-16/h10,12-13,18,20H,1,3-8H2,2H3/t10-,12-,13-,16+,17+/m0/s1
InChIKeyRPWIWHCGLHASSD-AWKHGQQRSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta capitalensis (ncbitaxon:121624) - DOI (10.1016/j.tet.2019.07.003)
ChEBI Ontology
Outgoing Relation(s)
Phyllostictone C (CHEBI:226787) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,4R,7R,8S,12S)-1-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,13-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-11-one