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CHEBI:227722 - Terreustoxin I

ChEBI IDCHEBI:227722
ChEBI NameTerreustoxin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O8
Net Charge0
Average Mass470.518
Monoisotopic Mass470.19407
SMILESC=C1C=C2[C@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@]2(C)[C@H]2C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]12C
InChIInChI=1S/C26H30O8/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/h11,17,28H,1,9-10H2,2-8H3/t17-,23-,24+,25-,26-/m0/s1
InChIKeyKHTDLEZHJSFANO-UTZZIKNXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (31158603)
ChEBI Ontology
Outgoing Relation(s)
Terreustoxin I (CHEBI:227722) is a steroid lactone (CHEBI:26766)
IUPAC Name 
methyl (2S,4aS,4bR,10aS,12aS)-6-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-9,10-dihydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate