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CHEBI:203187 - Terretonin H

ChEBI IDCHEBI:203187
ChEBI NameTerretonin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O9
Net Charge0
Average Mass516.587
Monoisotopic Mass516.23593
SMILESC=C1C[C@H]2[C@]3(C)C=CC(=O)C(C)(C)[C@H]3[C@@H](OC(C)=O)[C@@H](O)[C@]2(C)[C@@H]2C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]12C
InChIInChI=1S/C28H36O9/c1-13-12-15-25(5)11-10-16(30)24(3,4)18(25)17(36-14(2)29)20(31)27(15,7)19-21(32)37-28(8,23(34)35-9)22(33)26(13,19)6/h10-11,15,17-20,31H,1,12H2,2-9H3/t15-,17+,18+,19+,20+,25-,26+,27-,28-/m0/s1
InChIKeyOTIIBRNIMPIQRL-FXJOJOFLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.phytol.2016.07.002)
ChEBI Ontology
Outgoing Relation(s)
Terretonin H (CHEBI:203187) is a oxo steroid (CHEBI:35789)
IUPAC Name 
methyl (2S,4aS,4bS,5S,6R,6aS,10aS,10bS,12aS)-6-acetyloxy-5-hydroxy-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
60597159ChemSpider