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CHEBI:176161 - Eremopetasitenin D2

ChEBI IDCHEBI:176161
ChEBI NameEremopetasitenin D2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O7S
Net Charge0
Average Mass478.607
Monoisotopic Mass478.20252
SMILESC/C=C(/C)C(=O)OC1C2=C(C)C(=O)OC2(OC)CC2CCC(OC(=O)/C=C/SC)C(C)C21C
InChIInChI=1S/C25H34O7S/c1-8-14(2)22(27)31-21-20-15(3)23(28)32-25(20,29-6)13-17-9-10-18(16(4)24(17,21)5)30-19(26)11-12-33-7/h8,11-12,16-18,21H,9-10,13H2,1-7H3/b12-11+,14-8-
InChIKeyWAJCGTCCWFRXDF-LVIRMKODSA-N
ChEBI Ontology
Outgoing Relation(s)
Eremopetasitenin D2 (CHEBI:176161) is a terpene lactone (CHEBI:37668)
IUPAC Name 
[9a-methoxy-3,4a,5-trimethyl-6-[(E)-3-methylsulanylprop-2-enoyl]oxy-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-4-yl] (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
HMDB0032774HMDB
35013492ChemSpider