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CHEBI:227732 - Terreustoxin K

ChEBI IDCHEBI:227732
ChEBI NameTerreustoxin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O9
Net Charge0
Average Mass520.619
Monoisotopic Mass520.26723
SMILESC=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@@H](C(=O)OC(C)C(=O)OC)[C@]1(C)C(=O)OCC
InChIInChI=1S/C28H40O9/c1-10-36-24(34)27(7)14(2)13-16-26(6)12-11-17(29)25(4,5)19(26)18(30)21(31)28(16,8)20(27)23(33)37-15(3)22(32)35-9/h15-16,19-21,31H,2,10-13H2,1,3-9H3/t15?,16-,19+,20-,21+,26-,27+,28-/m0/s1
InChIKeyNXQQLEPWUXGBAH-LXLMGQFMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (31158603)
ChEBI Ontology
Outgoing Relation(s)
Terreustoxin K (CHEBI:227732) is a diterpenoid (CHEBI:23849)
IUPAC Name 
2-O-ethyl 1-O-(1-methoxy-1-oxopropan-2-yl) (1R,2S,4aS,4bS,8aS,10S,10aS)-10-hydroxy-2,4b,8,8,10a-pentamethyl-3-methylidene-7,9-dioxo-4,4a,5,6,8a,10-hexahydro-1H-phenanthrene-1,2-dicarboxylate