EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:214217 - Botrysphin G

ChEBI IDCHEBI:214217
ChEBI NameBotrysphin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILESC=C[C@]1(C)C=C2C(=O)[C@H]3OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)[C@@]2(O)CC1
InChIInChI=1S/C20H26O4/c1-5-18(4)9-10-20(23)12(11-18)13(21)14-15-17(2,3)7-6-8-19(15,20)16(22)24-14/h5,11,14-15,23H,1,6-10H2,2-4H3/t14-,15+,18+,19+,20-/m1/s1
InChIKeyFYOKVRATTPOWAS-NEILBQKWSA-N
Species of MetaboliteComponentSourceComments
Neofusicoccum laricinum (ncbitaxon:121618) - PubMed (33069833)
ChEBI Ontology
Outgoing Relation(s)
Botrysphin G (CHEBI:214217) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(1R,2R,5R,9S,10S)-5-ethenyl-2-hydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-6-ene-8,15-dione