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CHEBI:226792 - Phyllostictone D

ChEBI IDCHEBI:226792
ChEBI NamePhyllostictone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILESC/C(=C/CC(O)C(C)(C)O)[C@@H]1CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@]1(O)CO[C@H]3C1
InChIInChI=1S/C22H32O6/c1-12(5-6-17(23)20(2,3)25)13-7-8-21(4)15(13)9-14-18(28-21)16-10-22(26,11-27-16)19(14)24/h5,13,15-17,23,25-26H,6-11H2,1-4H3/b12-5-/t13-,15-,16-,17?,21+,22+/m0/s1
InChIKeyGDJYEQRFZQJYAF-XEOHOTKUSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta capitalensis (ncbitaxon:121624) - DOI (10.1016/j.tet.2019.07.003)
ChEBI Ontology
Outgoing Relation(s)
Phyllostictone D (CHEBI:226792) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,4R,7R,8S,12R)-7-[(Z)-5,6-dihydroxy-6-methylhept-2-en-2-yl]-12-hydroxy-4-methyl-3,14-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-11-one