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CHEBI:207446 - 5',6'-dihydroxyacetosellin

ChEBI IDCHEBI:207446
ChEBI Name5',6'-dihydroxyacetosellin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O8
Net Charge0
Average Mass428.437
Monoisotopic Mass428.14712
SMILESCC(O)C(O)/C=C/C=C/c1cc(O)c2c3c1C1=C(CO[C@H](CO)C1)C(=O)[C@@]3(C)OC2=O
InChIInChI=1S/C23H24O8/c1-11(25)16(26)6-4-3-5-12-7-17(27)19-20-18(12)14-8-13(9-24)30-10-15(14)21(28)23(20,2)31-22(19)29/h3-7,11,13,16,24-27H,8-10H2,1-2H3/b5-3+,6-4+/t11?,13-,16?,23-/m0/s1
InChIKeyXEMGWGTWWWNVQF-QKFNBBCUSA-N
Species of MetaboliteComponentSourceComments
Epicoccum (ncbitaxon:104397) - PubMed (28081580)
ChEBI Ontology
Outgoing Relation(s)
5',6'-dihydroxyacetosellin (CHEBI:207446) is a organic heterotricyclic compound (CHEBI:26979)
5',6'-dihydroxyacetosellin (CHEBI:207446) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4S,9S)-15-[(1E,3E)-5,6-dihydroxyhepta-1,3-dienyl]-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
63002555ChemSpider