EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225705 - Flavipesine B

ChEBI IDCHEBI:225705
ChEBI NameFlavipesine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H37NO5
Net Charge0
Average Mass419.562
Monoisotopic Mass419.26717
SMILESCC(C)C[C@@H]1NC(=O)[C@]23[C@H]1[C@H](C)C(CO)=C[C@@H]2[C@@H]1[C@@]2(CCC[C@@]1(C)O)CC[C@]3(O)O2
InChIInChI=1S/C24H37NO5/c1-13(2)10-17-18-14(3)15(12-26)11-16-19-21(4,28)6-5-7-22(19)8-9-23(29,30-22)24(16,18)20(27)25-17/h11,13-14,16-19,26,28-29H,5-10,12H2,1-4H3,(H,25,27)/t14-,16-,17+,18+,19+,21-,22-,23+,24-/m1/s1
InChIKeyQATSZQQBBVIJIU-HXOPXJDBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavipes (ncbitaxon:41900) - PubMed (31674782)
ChEBI Ontology
Outgoing Relation(s)
Flavipesine B (CHEBI:225705) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,5R,6S,7R,10S,11R,12S,15S,16S)-5,16-dihydroxy-9-(hydroxymethyl)-5,10-dimethyl-12-(2-methylpropyl)-19-oxa-13-azapentacyclo[14.2.1.01,6.07,15.011,15]nonadec-8-en-14-one
Manual XrefsDatabases
128435321ChemSpider