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CHEBI:203739 - Isoretipolide A

ChEBI IDCHEBI:203739
ChEBI NameIsoretipolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H20O9
Net Charge0
Average Mass476.437
Monoisotopic Mass476.11073
SMILESO=C1CCC2=C1C(O)OC1=C2[C@@]2(Cc3ccc(O)c(c3)-c3cc(ccc3O)CCOC2=O)OC1=O
InChIInChI=1S/C26H20O9/c27-17-4-1-12-7-8-33-25(32)26(11-13-2-5-18(28)16(10-13)15(17)9-12)21-14-3-6-19(29)20(14)23(30)34-22(21)24(31)35-26/h1-2,4-5,9-10,23,27-28,30H,3,6-8,11H2/t23?,26-/m1/s1
InChIKeyLJXTXJZAEZFUFG-ANWICMFUSA-N
Species of MetaboliteComponentSourceComments
Retiboletus (ncbitaxon:889442) - DOI (10.1002/ejoc.200700579)
ChEBI Ontology
Outgoing Relation(s)
Isoretipolide A (CHEBI:203739) is a macrolide (CHEBI:25106)
IUPAC Name 
(3R)-3',8,16'-trihydroxyspiro[4,7-dioxatricyclo[7.3.0.02,6]dodeca-1(9),2(6)-diene-3,11'-9-oxatricyclo[11.3.1.12,6]octadeca-1(16),2,4,6(18),13(17),14-hexaene]-5,10,10'-trione
Manual XrefsDatabases
78437050ChemSpider