EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219731 - Sch 49028

ChEBI IDCHEBI:219731
ChEBI NameSch 49028
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESC/C1=C/CC[C@]2(C)O[C@H]2C2(O)OCC3=C2C(O)C[C@H](C)[C@@]3(C)CC1
InChIInChI=1S/C20H30O4/c1-12-6-5-8-19(4)17(24-19)20(22)16-14(11-23-20)18(3,9-7-12)13(2)10-15(16)21/h6,13,15,17,21-22H,5,7-11H2,1-4H3/b12-6-/t13-,15?,17+,18+,19-,20?/m0/s1
InChIKeyQERBULPKWCHSBH-CFDRSBGGSA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - PubMed (8500998)
ChEBI Ontology
Outgoing Relation(s)
Sch 49028 (CHEBI:219731) is a dihydrofuran (CHEBI:51659)
IUPAC Name 
(5R,7S,10Z,14R,15S)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-diene-4,17-diol