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CHEBI:208524 - Acarogobien B

Default Structure
ChEBI IDCHEBI:208524
ChEBI NameAcarogobien B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H30Br2O6
Net Charge0
Average Mass634.361
Monoisotopic Mass632.04091
SMILESC/C=C(\C)c1c(Br)c(OCC=C(C)C)c(C)c2c1Oc1c(C=O)c(OC)c(Br)c(/C(C)=C/C)c1C(=O)O2
InChIInChI=1S/C29H30Br2O6/c1-9-15(5)19-21-26(18(13-32)27(34-8)22(19)30)36-28-20(16(6)10-2)23(31)24(35-12-11-14(3)4)17(7)25(28)37-29(21)33/h9-11,13H,12H2,1-8H3/b15-9+,16-10+
InChIKeyMARCXTHIFQNPLR-KAVGSWPWSA-N
Species of MetaboliteComponentSourceComments
Acarospora (ncbitaxon:88747) - DOI (10.1021/np990114s)
ChEBI Ontology
Outgoing Relation(s)
Acarogobien B (CHEBI:208524) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
2,8-dibromo-1,7-bis[(E)-but-2-en-2-yl]-9-methoxy-4-methyl-3-(3-methylbut-2-enoxy)-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde
Manual XrefsDatabases
8184821ChemSpider