Salimabromide (CHEBI:200108)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Salimabromide

ChEBI ID	CHEBI:200108

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H20Br2O3

Net Charge

Average Mass

468.185

Monoisotopic Mass

465.97792

InChI

InChI=1S/C20H20Br2O3/c1-5-9-11(21)8-10-13(16(9)22)14-15-18(24)25-17(14)12(23)6-7-20(15,4)19(10,2)3/h6-8,14-15,17H,5H2,1-4H3/t14-,15+,17-,20-/m1/s1

InChIKey

GDEXCBVSKBSSBD-DOHHPOSVSA-N

SMILES

BrC1=C2C(=CC(=C1CC)Br)C([C@@]3(C=CC([C@@H]4[C@H]2[C@H]3C(=O)O4)=O)C)(C)C

Metabolite of Species	Details
Enhygromyxa (NCBI:txid215802)	See: PubMed

ChEBI Ontology
Outgoing	Salimabromide (CHEBI:200108) is a naphthofuran (CHEBI:39270)

IUPAC Name

(1R,2S,10R,14S)-4,6-dibromo-5-ethyl-9,9,10-trimethyl-15-oxatetracyclo[8.6.0.02,14.03,8]hexadeca-3,5,7,11-tetraene-13,16-dione