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CHEBI:207793 - Botrysphin C

ChEBI IDCHEBI:207793
ChEBI NameBotrysphin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILESC=C[C@]1(C)C=C2[C@@H]3C[C@H]4C(C)(C)CCC[C@]4(C(=O)O3)[C@@]2(O)C(=O)C1
InChIInChI=1S/C20H26O4/c1-5-18(4)10-12-13-9-14-17(2,3)7-6-8-19(14,16(22)24-13)20(12,23)15(21)11-18/h5,10,13-14,23H,1,6-9,11H2,2-4H3/t13-,14-,18+,19-,20-/m0/s1
InChIKeyJQZCHSTUPDKDEJ-QGCVXUCCSA-N
Species of MetaboliteComponentSourceComments
Neofusicoccum laricinum (ncbitaxon:121618) - PubMed (28609099)
ChEBI Ontology
Outgoing Relation(s)
Botrysphin C (CHEBI:207793) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(1R,2R,5R,8S,10S)-5-ethenyl-2-hydroxy-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadec-6-ene-3,15-dione