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CHEBI:190116 - Diacetyldideisovaleryl-Rhodomyrtoxin

Default Structure
ChEBI IDCHEBI:190116
ChEBI NameDiacetyldideisovaleryl-Rhodomyrtoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O7
Net Charge0
Average Mass344.319
Monoisotopic Mass344.08960
SMILESCC(=O)c1c(O)c(C)c(O)c2c1oc1c(C(C)=O)c(O)c(C)c(O)c12
InChIInChI=1S/C18H16O7/c1-5-13(21)9(7(3)19)17-11(15(5)23)12-16(24)6(2)14(22)10(8(4)20)18(12)25-17/h21-24H,1-4H3
InChIKeyITNAPFQWGONXRC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Diacetyldideisovaleryl-Rhodomyrtoxin (CHEBI:190116) is a dibenzofurans (CHEBI:38922)
IUPAC Name 
1-(6-acetyl-1,3,7,9-tetrahydroxy-2,8-dimethyldibenzouran-4-yl)ethanone
Manual XrefsDatabases
3523030ChemSpider