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CHEBI:225180 - Expansolide B

ChEBI IDCHEBI:225180
ChEBI NameExpansolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILESC=C1C2C[C@@H](C[C@H]1OC(C)=O)[C@@]21CO[C@]2(C[C@@H](C)C(=O)O2)C1
InChIInChI=1S/C17H22O5/c1-9-6-17(22-15(9)19)7-16(8-20-17)12-4-13(16)10(2)14(5-12)21-11(3)18/h9,12-14H,2,4-8H2,1,3H3/t9-,12+,13?,14-,16-,17+/m1/s1
InChIKeyHCLJMOPTDZVPLC-PCZGJBNQSA-N
Species of MetaboliteComponentSourceComments
Penicillium expansum (ncbitaxon:27334) - DOI (10.1021/ja00178a039)
ChEBI Ontology
Outgoing Relation(s)
Expansolide B (CHEBI:225180) is a terpene lactone (CHEBI:37668)
Manual XrefsDatabases
78437768ChemSpider