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CHEBI:205315 - Acetosellin

ChEBI IDCHEBI:205315
ChEBI NameAcetosellin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O6
Net Charge0
Average Mass394.423
Monoisotopic Mass394.14164
SMILESC/C=C/C=C/C=C/c1cc(O)c2c3c1C1=C(CO[C@H](CO)C1)C(=O)[C@@]3(C)OC2=O
InChIInChI=1S/C23H22O6/c1-3-4-5-6-7-8-13-9-17(25)19-20-18(13)15-10-14(11-24)28-12-16(15)21(26)23(20,2)29-22(19)27/h3-9,14,24-25H,10-12H2,1-2H3/b4-3+,6-5+,8-7+/t14-,23-/m0/s1
InChIKeyORBXWZSWCVYENA-FKWVPTGZSA-N
Species of MetaboliteComponentSourceComments
Cercosporella (ncbitaxon:321174) - DOI (10.1016/s0040-4039(02)00091-6)
ChEBI Ontology
Outgoing Relation(s)
Acetosellin (CHEBI:205315) is a organic heterotricyclic compound (CHEBI:26979)
Acetosellin (CHEBI:205315) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4S,9S)-15-[(1E,3E,5E)-hepta-1,3,5-trienyl]-13-hydroxy-4-(hydroxymethyl)-9-methyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),12,14-tetraene-8,11-dione
Manual XrefsDatabases
9059008ChemSpider