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CHEBI:208759 - Terretonin E

ChEBI IDCHEBI:208759
ChEBI NameTerretonin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O9
Net Charge0
Average Mass488.533
Monoisotopic Mass488.20463
SMILESC=C1C[C@@H]2[C@]3(C)C(=C(O)C(=O)[C@@]2(C)[C@]2(C(=O)OC)C(=O)O[C@H](C)C(=O)[C@@]12C)C(C)(C)C(=O)C[C@@H]3O
InChIInChI=1S/C26H32O9/c1-11-9-13-23(5)15(28)10-14(27)22(3,4)17(23)16(29)19(31)25(13,7)26(20(32)34-8)21(33)35-12(2)18(30)24(11,26)6/h12-13,15,28-29H,1,9-10H2,2-8H3/t12-,13-,15+,23+,24-,25+,26-/m1/s1
InChIKeyDXIRTOQNEFGTAD-CRPRLYOESA-N
Species of MetaboliteComponentSourceComments
Aspergillus insuetus (ncbitaxon:469274) - PubMed (19719247)
ChEBI Ontology
Outgoing Relation(s)
Terretonin E (CHEBI:208759) is a steroid lactone (CHEBI:26766)
IUPAC Name 
methyl (2R,4aS,4bR,10S,10aR,10bR,12aS)-6,10-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-9,10,10b,11-tetrahydronaphtho[1,2-h]isochromene-4a-carboxylate
Manual XrefsDatabases
24624898ChemSpider