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CHEBI:175289 - Eremopetasitenin C3

ChEBI IDCHEBI:175289
ChEBI NameEremopetasitenin C3
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SubmitterMetaboLights
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FormulaC21H30O6S
Net Charge0
Average Mass410.532
Monoisotopic Mass410.17631
SMILESCOC1C2=C(C)C(=O)OC2(OC)CC2CCC(OC(=O)/C=C/SC)C(C)C21C
InChIInChI=1S/C21H30O6S/c1-12-17-18(24-4)20(3)13(2)15(26-16(22)9-10-28-6)8-7-14(20)11-21(17,25-5)27-19(12)23/h9-10,13-15,18H,7-8,11H2,1-6H3/b10-9+
InChIKeyAKVFHSQBKRFJIZ-MDZDMXLPSA-N
ChEBI Ontology
Outgoing Relation(s)
Eremopetasitenin C3 (CHEBI:175289) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(4,9a-dimethoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-6-yl) (E)-3-methylsulanylprop-2-enoate
Manual XrefsDatabases
35013490ChemSpider
HMDB0032772HMDB