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CHEBI:174653 - Neotussilagolactone

ChEBI IDCHEBI:174653
ChEBI NameNeotussilagolactone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O4
Net Charge0
Average Mass344.451
Monoisotopic Mass344.19876
SMILESC=C1C(OC(=O)/C=C(\C)CC)C=C(C(C)C)C2/C(=C/C)C(=O)OCC12
InChIInChI=1S/C21H28O4/c1-7-13(5)9-19(22)25-18-10-16(12(3)4)20-15(8-2)21(23)24-11-17(20)14(18)6/h8-10,12,17-18,20H,6-7,11H2,1-5H3/b13-9+,15-8-
InChIKeyDGIQURYKMOLFSK-VERMXVBFSA-N
ChEBI Ontology
Outgoing Relation(s)
Neotussilagolactone (CHEBI:174653) is a terpene lactone (CHEBI:37668)
IUPAC Name 
[(4Z)-4-ethylidene-8-methylidene-3-oxo-5-propan-2-yl-1,4a,7,8a-tetrahydroisochromen-7-yl] (E)-3-methylpent-2-enoate
Manual XrefsDatabases
35013316ChemSpider
HMDB0031096HMDB