EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219596 - Sesquicillin E

ChEBI IDCHEBI:219596
ChEBI NameSesquicillin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O6
Net Charge0
Average Mass486.649
Monoisotopic Mass486.29814
SMILESC=C1CC[C@H]2[C@](C)(CC/C=C(/C)CO)[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O
InChIInChI=1S/C29H42O6/c1-17(16-30)9-8-13-29(7)24-11-10-18(2)23(28(24,6)14-12-25(29)35-21(5)31)15-22-26(32)19(3)20(4)34-27(22)33/h9,23-25,30,32H,2,8,10-16H2,1,3-7H3/b17-9-/t23-,24-,25+,28-,29+/m1/s1
InChIKeyRGLORAMZMUVQIN-PFBDMRMASA-N
Species of MetaboliteComponentSourceComments
Albophoma (ncbitaxon:1635094) - PubMed (16156516)
ChEBI Ontology
Outgoing Relation(s)
Sesquicillin E (CHEBI:219596) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(1S,2S,4aR,5R,8aR)-5-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-1-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
Manual XrefsDatabases
78438188ChemSpider