EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205383 - 4,25-dehydro-22-deoxyminiolutelide B

ChEBI IDCHEBI:205383
ChEBI Name4,25-dehydro-22-deoxyminiolutelide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O9
Net Charge0
Average Mass486.517
Monoisotopic Mass486.18898
SMILESC=C1C2=CC(=O)OC(C)(C)C2=C[C@@H]2O[C@@]3(O)[C@@H](C)O[C@H]4OC(=O)[C@@]5(C)C[C@H]1[C@]2(C)[C@]3(C(=O)OC)[C@@H]45
InChIInChI=1S/C26H30O9/c1-11-13-8-17(27)35-22(3,4)14(13)9-16-24(6)15(11)10-23(5)18-19(33-20(23)28)32-12(2)26(30,34-16)25(18,24)21(29)31-7/h8-9,12,15-16,18-19,30H,1,10H2,2-7H3/t12-,15-,16+,18+,19+,23+,24+,25-,26+/m1/s1
InChIKeySSIAJGSCGQAALW-BEQYNWFXSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (23148724)
ChEBI Ontology
Outgoing Relation(s)
4,25-dehydro-22-deoxyminiolutelide B (CHEBI:205383) is a furopyran (CHEBI:74927)
IUPAC Name 
methyl (1R,10S,12R,13R,15S,18S,19S,20R,21R)-12-hydroxy-7,7,13,18,21-pentamethyl-2-methylidene-5,17-dioxo-6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8-diene-20-carboxylate
Manual XrefsDatabases
29215270ChemSpider