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CHEBI:198298 - Terretonin D

ChEBI IDCHEBI:198298
ChEBI NameTerretonin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O8
Net Charge0
Average Mass474.550
Monoisotopic Mass474.22537
SMILESC=C1C[C@H]2[C@](C)([C@@H]3C(=O)O[C@@](C)(C(=O)OC)C(=O)C13C)[C@@H](O)C(=O)C1C(C)(C)C(=O)CC[C@@]12C
InChIInChI=1S/C26H34O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,16-18,29H,1,9-11H2,2-8H3/t13-,16?,17-,18+,23-,24?,25-,26-/m1/s1
InChIKeyVOCWMGRIYMFSCC-KWSCDPDOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (16124769)
ChEBI Ontology
Outgoing Relation(s)
Terretonin D (CHEBI:198298) is a oxo steroid (CHEBI:35789)
IUPAC Name 
methyl (2R,4aS,4bR,5R,10aR,10bR)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,6,8-tetraoxo-5,6a,9,10,10b,11-hexahydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate
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78440720ChemSpider