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CHEBI:212882 - Terretonin I

ChEBI IDCHEBI:212882
ChEBI NameTerretonin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O8
Net Charge0
Average Mass500.588
Monoisotopic Mass500.24102
SMILESC=C1CC2C3(C)C=CC(=O)C(C)(C)[C@H]3C(OC(C)=O)C[C@]2(C)[C@@H]2C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]12C
InChIInChI=1S/C28H36O8/c1-14-12-17-25(5)11-10-18(30)24(3,4)19(25)16(35-15(2)29)13-26(17,6)20-21(31)36-28(8,23(33)34-9)22(32)27(14,20)7/h10-11,16-17,19-20H,1,12-13H2,2-9H3/t16?,17?,19-,20+,25?,26+,27-,28+/m1/s1
InChIKeyZZTQFSICBOMZNO-MAYYOOSHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.phytol.2016.07.002)
ChEBI Ontology
Outgoing Relation(s)
Terretonin I (CHEBI:212882) is a oxo steroid (CHEBI:35789)
IUPAC Name 
methyl (2S,4aS,4bS,6aS,12aS)-6-acetyloxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,10b,11-hexahydronaphtho[1,2-h]isochromene-2-carboxylate
Manual XrefsDatabases
78445751ChemSpider