EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:227746 - Terreustoxin C

ChEBI IDCHEBI:227746
ChEBI NameTerreustoxin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O6
Net Charge0
Average Mass418.530
Monoisotopic Mass418.23554
SMILESC=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3[C@@H](O)[C@@H](O)[C@]2(C)[C@H]2C(=O)O[C@@H](C)C(=O)[C@]12C
InChIInChI=1S/C24H34O6/c1-11-10-13-22(5)9-8-14(25)21(3,4)16(22)15(26)19(28)24(13,7)17-20(29)30-12(2)18(27)23(11,17)6/h12-13,15-17,19,26,28H,1,8-10H2,2-7H3/t12-,13-,15+,16+,17-,19+,22-,23+,24-/m0/s1
InChIKeyKDYFJFSVVRRIPW-BLEXPUOFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (31158603)
ChEBI Ontology
Outgoing Relation(s)
Terreustoxin C (CHEBI:227746) is a steroid lactone (CHEBI:26766)
IUPAC Name 
(2S,4aR,4bS,5S,6R,6aS,10aS,10bS,12aS)-5,6-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-1,4,8-trione