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CHEBI:216406 - Retipolide A

ChEBI IDCHEBI:216406
ChEBI NameRetipolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H20O9
Net Charge0
Average Mass476.437
Monoisotopic Mass476.11073
SMILESO=C1CCC2=C1C(O)OC1=C2[C@@]2(Cc3ccc(cc3)Oc3cc(ccc3O)CCOC2=O)OC1=O
InChIInChI=1S/C26H20O9/c27-17-7-3-13-9-10-32-25(31)26(12-14-1-4-15(5-2-14)33-19(17)11-13)21-16-6-8-18(28)20(16)23(29)34-22(21)24(30)35-26/h1-5,7,11,23,27,29H,6,8-10,12H2/t23?,26-/m1/s1
InChIKeyYQMDXACDZZDJBU-ANWICMFUSA-N
Species of MetaboliteComponentSourceComments
Retiboletus (ncbitaxon:889442) - DOI (10.1002/ejoc.200700579)
ChEBI Ontology
Outgoing Relation(s)
Retipolide A (CHEBI:216406) is a macrolide (CHEBI:25106)
IUPAC Name 
(12R)-4,8'-dihydroxyspiro[2,10-dioxatricyclo[12.2.2.13,7]nonadeca-1(16),3,5,7(19),14,17-hexaene-12,3'-4,7-dioxatricyclo[7.3.0.02,6]dodeca-1(9),2(6)-diene]-5',10',11-trione
Manual XrefsDatabases
28284634ChemSpider