EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206879 - Flavofungin III

ChEBI IDCHEBI:206879
ChEBI NameFlavofungin III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H60O12
Net Charge0
Average Mass684.864
Monoisotopic Mass684.40848
SMILESCC(C)[C@@H]1OC(=O)/C=C\C=C/C=C\C=C/[C@@H](O)[C@@H](O)C[C@H](O)[C@H](C)[C@H](O)C[C@H](O)C[C@H](O)C[C@@H](O)C[C@H](O)C[C@@H](O)C[C@@H](O)/C=C\[C@@H]1C
InChIInChI=1S/C36H60O12/c1-22(2)36-23(3)13-14-25(37)15-26(38)16-27(39)17-28(40)18-29(41)19-30(42)20-32(44)24(4)33(45)21-34(46)31(43)11-9-7-5-6-8-10-12-35(47)48-36/h5-14,22-34,36-46H,15-21H2,1-4H3/b7-5-,8-6-,11-9-,12-10-,14-13-/t23-,24+,25-,26-,27+,28-,29+,30+,31+,32+,33-,34-,36-/m0/s1
InChIKeyUFTPRNYDXZKTRT-UDPPBKJDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28490799)
ChEBI Ontology
Outgoing Relation(s)
Flavofungin III (CHEBI:206879) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5E,7E,9E,11R,12S,14S,15R,16R,18R,20R,22S,24S,26R,28R,29E,31S,32S)-11,12,14,16,18,20,22,24,26,28-decahydroxy-15,31-dimethyl-32-propan-2-yl-1-oxacyclodotriaconta-3,5,7,9,29-pentaen-2-one
Manual XrefsDatabases
61708631ChemSpider