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CHEBI:215746 - Terreusterpene D

ChEBI IDCHEBI:215746
ChEBI NameTerreusterpene D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O9
Net Charge0
Average Mass490.549
Monoisotopic Mass490.22028
SMILESC=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3C(=O)[C@]3(O)OC(=O)[C@H]([C@]1(C)C(=O)[C@](C)(O)C(=O)OC)[C@]23C
InChIInChI=1S/C26H34O9/c1-12-11-13-22(4)10-9-14(27)21(2,3)15(22)17(28)26(33)24(13,6)16(18(29)35-26)23(12,5)19(30)25(7,32)20(31)34-8/h13,15-16,32-33H,1,9-11H2,2-8H3/t13-,15+,16+,22-,23+,24-,25-,26-/m0/s1
InChIKeyBGPYFGNVTNOLOI-WWMIFYRDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (30430177)
ChEBI Ontology
Outgoing Relation(s)
Terreusterpene D (CHEBI:215746) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
methyl (2S)-2-hydroxy-3-[(1S,2S,7S,9R,12S,13S,16S)-9-hydroxy-2,6,6,13,16-pentamethyl-14-methylidene-5,8,11-trioxo-10-oxatetracyclo[7.6.1.02,7.012,16]hexadecan-13-yl]-2-methyl-3-oxopropanoate