EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205916 - (14S)-4,9-dihydroxy-8-imino-2,13,13,14-tetramethyl-6,15-dioxatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4,9,12(16)-pentaene-7,11-dione

ChEBI IDCHEBI:205916
ChEBI Name(14S)-4,9-dihydroxy-8-imino-2,13,13,14-tetramethyl-6,15-dioxatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4,9,12(16)-pentaene-7,11-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H17NO6
Net Charge0
Average Mass355.346
Monoisotopic Mass355.10559
SMILESCc1cc(O)c2oc(=O)c(=N)c(O)c3c2c1C1=C(C3=O)C(C)(C)[C@H](C)O1
InChIInChI=1S/C19H17NO6/c1-6-5-8(21)16-10-9(6)17-12(19(3,4)7(2)25-17)14(22)11(10)15(23)13(20)18(24)26-16/h5,7,20-21,23H,1-4H3/t7-/m0/s1
InChIKeyZZXUFDBIYDJRRM-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Neosetophoma cerealis (ncbitaxon:2718965) - PubMed (26840293)
ChEBI Ontology
Outgoing Relation(s)
(14S)-4,9-dihydroxy-8-imino-2,13,13,14-tetramethyl-6,15-dioxatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4,9,12(16)-pentaene-7,11-dione (CHEBI:205916) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(14S)-4,9-dihydroxy-8-imino-2,13,13,14-tetramethyl-6,15-dioxatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4,9,12(16)-pentaene-7,11-dione