CHEBI:220931 - Terretonin M

ChEBI IDCHEBI:220931
ChEBI NameTerretonin M
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O6
Net Charge0
Average Mass446.584
Monoisotopic Mass446.26684
SMILESC=C1[C@@H](O)[C@H]2[C@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]3CC[C@]2(C)[C@H]2C(=O)O[C@@H](C)C(=O)[C@]12C
InChIInChI=1S/C26H38O6/c1-13-18(28)19-24(6)12-10-17(32-15(3)27)23(4,5)16(24)9-11-25(19,7)20-22(30)31-14(2)21(29)26(13,20)8/h14,16-20,28H,1,9-12H2,2-8H3/t14-,16+,17-,18+,19-,20+,24+,25-,26+/m0/s1
InChIKeyDEIJYXBBTBAMIX-WRUUNCBUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (29281919)
ChEBI Ontology
Outgoing Relation(s)
Terretonin M (CHEBI:220931) is a steroid lactone (CHEBI:26766)
IUPAC Name 
[(2S,4aR,4bS,6aS,8S,10aR,10bS,11S,12aS)-11-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4-dioxo-5,6,6a,8,9,10,10b,11-octahydro-4aH-naphtho[1,2-h]isochromen-8-yl] acetate
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78439563ChemSpider