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CHEBI:206857 - Acarogobien A

Default Structure
ChEBI IDCHEBI:206857
ChEBI NameAcarogobien A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H25BrO5
Net Charge0
Average Mass473.363
Monoisotopic Mass472.08854
SMILESC/C=C(\C)c1cc(OC)c(C)c2c1C(=O)Oc1c(C)c(O)c(Br)c(/C(C)=C/C)c1O2
InChIInChI=1S/C24H25BrO5/c1-8-11(3)15-10-16(28-7)13(5)21-18(15)24(27)30-22-14(6)20(26)19(25)17(12(4)9-2)23(22)29-21/h8-10,26H,1-7H3/b11-8+,12-9+
InChIKeyDXZNRZKOBNJRHT-HZOWPXDZSA-N
Species of MetaboliteComponentSourceComments
Acarospora (ncbitaxon:88747) - DOI (10.1021/np990114s)
ChEBI Ontology
Outgoing Relation(s)
Acarogobien A (CHEBI:206857) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
2-bromo-1,7-bis[(E)-but-2-en-2-yl]-3-hydroxy-9-methoxy-4,10-dimethylbenzo[b][1,4]benzodioxepin-6-one
Manual XrefsDatabases
9929297ChemSpider