EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218217 - (+)-variecolortin A

ChEBI IDCHEBI:218217
ChEBI Name(+)-variecolortin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H33N3O9
Net Charge0
Average Mass651.672
Monoisotopic Mass651.22168
SMILESC=CC(C)(C)c1nc2ccccc2c1/C=C1\NC(=O)[C@@]23C[C@@H](c4c(c(C)cc(O)c4C(=O)OC)O2)[C@@]2(CC(=O)C=C(OC)C2=O)N3C1=O
InChIInChI=1S/C36H33N3O9/c1-7-34(3,4)29-20(19-10-8-9-11-22(19)37-29)14-23-31(43)39-35(15-18(40)13-25(46-5)30(35)42)21-16-36(39,33(45)38-23)48-28-17(2)12-24(41)27(26(21)28)32(44)47-6/h7-14,21,37,41H,1,15-16H2,2-6H3,(H,38,45)/b23-14-/t21-,35+,36+/m0/s1
InChIKeyQZPKRXOBZYTEBJ-OXRLJIRASA-N
Species of MetaboliteComponentSourceComments
Eurotiumspecies SCSIO F452 (ncbitaxon:1246140) - PubMed (30011219)
ChEBI Ontology
Outgoing Relation(s)
(+)-variecolortin A (CHEBI:218217) is a benzenes (CHEBI:22712)
(+)-variecolortin A (CHEBI:218217) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
methyl (1R,9S,10R,13Z)-6-hydroxy-1'-methoxy-4-methyl-13-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-3',6',12,15-tetraoxospiro[2-oxa-11,14-diazatetracyclo[7.6.1.01,11.03,8]hexadeca-3(8),4,6-triene-10,5'-cyclohexene]-7-carboxylate
Manual XrefsDatabases
68007481ChemSpider