EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223968 - Aranorosin-2-methyl ether

ChEBI IDCHEBI:223968
ChEBI NameAranorosin-2-methyl ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35NO6
Net Charge0
Average Mass433.545
Monoisotopic Mass433.24644
SMILESCCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1CC2(O[C@H]1OC)[C@@H]1O[C@@H]1C(=O)[C@@H]1O[C@@H]12
InChIInChI=1S/C24H35NO6/c1-5-6-7-8-9-14(2)12-15(3)10-11-17(26)25-16-13-24(31-23(16)28-4)21-19(29-21)18(27)20-22(24)30-20/h10-12,14,16,19-23H,5-9,13H2,1-4H3,(H,25,26)/b11-10+,15-12+/t14-,16+,19-,20+,21-,22+,23-,24?/m1/s1
InChIKeyGKVIDXZWKPCOHE-ZBTRLJRXSA-N
Species of MetaboliteComponentSourceComments
Gymnascella dankaliensis (ncbitaxon:166389) - PubMed (25600409)
ChEBI Ontology
Outgoing Relation(s)
Aranorosin-2-methyl ether (CHEBI:223968) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2E,4E,6R)-N-[(1R,2'R,3S,3'S,5R,7S)-2'-methoxy-6-oxospiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,5'-oxolane]-3'-yl]-4,6-dimethyldodeca-2,4-dienamide
Manual XrefsDatabases
78438274ChemSpider