EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200279 - (2'E,4'E,6'E)-6-(1'-carboxyocta-2',4',6'-triene)-11,12-epoxy-9-hydroxy-11-methoxy-drim-7-ene

ChEBI IDCHEBI:200279
ChEBI Name(2'E,4'E,6'E)-6-(1'-carboxyocta-2',4',6'-triene)-11,12-epoxy-9-hydroxy-11-methoxy-drim-7-ene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O5
Net Charge0
Average Mass402.531
Monoisotopic Mass402.24062
SMILESC/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(OC)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12
InChIInChI=1S/C24H34O5/c1-6-7-8-9-10-12-19(25)29-18-15-17-16-28-21(27-5)24(17,26)23(4)14-11-13-22(2,3)20(18)23/h6-10,12,15,18,20-21,26H,11,13-14,16H2,1-5H3/b7-6+,9-8+,12-10+/t18-,20+,21?,23+,24+/m1/s1
InChIKeyIQZCRLBNSYMYLI-ASKWRCQZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ustus (ncbitaxon:40382) - PubMed (21628915)
ChEBI Ontology
Outgoing Relation(s)
(2'E,4'E,6'E)-6-(1'-carboxyocta-2',4',6'-triene)-11,12-epoxy-9-hydroxy-11-methoxy-drim-7-ene (CHEBI:200279) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5R,5aS,9aS,9bS)-9b-hydroxy-1-methoxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-5-yl] (2E,4E,6E)-octa-2,4,6-trienoate
Manual XrefsDatabases
27025550ChemSpider