EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198237 - Emericolin D

ChEBI IDCHEBI:198237
ChEBI NameEmericolin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O2
Net Charge0
Average Mass368.561
Monoisotopic Mass368.27153
SMILESC=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)C=C[C@H]4/C(C(=O)O)=C\C[C@H]3[C@H]12
InChIInChI=1S/C25H36O2/c1-15(2)17-10-11-24(4)12-13-25(5)14-20-16(3)6-7-18(20)19(23(26)27)8-9-21(25)22(17)24/h6-8,16-18,20-22H,1,9-14H2,2-5H3,(H,26,27)/b19-8+/t16-,17+,18-,20-,21-,22-,24-,25+/m0/s1
InChIKeyXYGOQXIIYXSIFJ-MROKGFDXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus aurantiobrunneus (ncbitaxon:41725) - PubMed (15497939)
ChEBI Ontology
Outgoing Relation(s)
Emericolin D (CHEBI:198237) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1R,3S,4S,7R,8E,11S,12S,13S,16S)-1,4,16-trimethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadeca-5,8-diene-8-carboxylic acid
Manual XrefsDatabases
4980919ChemSpider