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CHEBI:218093 - Emericelactone B

ChEBI IDCHEBI:218093
ChEBI NameEmericelactone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O5
Net Charge0
Average Mass414.542
Monoisotopic Mass414.24062
SMILESC/C(=C\C=C\C=C\[C@]1(C)[C@H]2OC(=O)[C@]1(C)C(=O)C2(C)C)[C@@H]1[C@@H](C)C(=O)[C@@](C)(O)[C@H]1C
InChIInChI=1S/C25H34O5/c1-14(17-15(2)18(26)25(8,29)16(17)3)12-10-9-11-13-23(6)20-22(4,5)19(27)24(23,7)21(28)30-20/h9-13,15-17,20,29H,1-8H3/b10-9+,13-11+,14-12+/t15-,16+,17-,20+,23-,24+,25+/m1/s1
InChIKeyZWOJZMXXTIYXQZ-YSYMIXFWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tetlet.2018.11.032)
ChEBI Ontology
Outgoing Relation(s)
Emericelactone B (CHEBI:218093) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1R,4S,7S)-7-[(1E,3E,5E)-6-[(1S,2S,3S,5R)-3-hydroxy-2,3,5-trimethyl-4-oxocyclopentyl]hepta-1,3,5-trienyl]-4,6,6,7-tetramethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione
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78441783ChemSpider