EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:197548 - Spiroleptosphol B

ChEBI IDCHEBI:197548
ChEBI NameSpiroleptosphol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O5
Net Charge0
Average Mass336.428
Monoisotopic Mass336.19367
SMILESCC[C@@H](C)C[C@@H](C)/C=C/[C@@H]1C=C[C@@H](O)[C@@H]2O[C@]3(C)OC(=O)[C@]12C3O
InChIInChI=1S/C19H28O5/c1-5-11(2)10-12(3)6-7-13-8-9-14(20)15-19(13)16(21)18(4,23-15)24-17(19)22/h6-9,11-16,20-21H,5,10H2,1-4H3/b7-6+/t11-,12+,13-,14-,15+,16?,18-,19-/m1/s1
InChIKeyKMJIBJZHUZVXRL-GIDIXUSBSA-N
Species of MetaboliteComponentSourceComments
Leptosphaeria doliolum (ncbitaxon:28988) - PubMed (19109021)
ChEBI Ontology
Outgoing Relation(s)
Spiroleptosphol B (CHEBI:197548) is a ketal (CHEBI:59777)
IUPAC Name 
(1S,2R,5R,6R,8R)-2-[(E,3R,5R)-3,5-dimethylhept-1-enyl]-5,11-dihydroxy-8-methyl-7,9-dioxatricyclo[6.2.1.01,6]undec-3-en-10-one
Manual XrefsDatabases
78436227ChemSpider