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CHEBI:206912 - Flavofungin IX

ChEBI IDCHEBI:206912
ChEBI NameFlavofungin IX
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H58O11
Net Charge0
Average Mass666.849
Monoisotopic Mass666.39791
SMILESCC(C)[C@@H]1OC(=O)/C=C/C=C/C=C/C=C/[C@@H]2O[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/[C@@H]1C)[C@H](C)[C@@H](O)C[C@H]2O
InChIInChI=1S/C36H58O11/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)20-34-24(4)31(43)21-32(44)33(46-34)11-9-7-5-6-8-10-12-35(45)47-36/h5-14,22-34,36-44H,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
InChIKeyYBLMKYJGZVZWIK-CYTIFSALSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28490799)
ChEBI Ontology
Outgoing Relation(s)
Flavofungin IX (CHEBI:206912) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2E,4E,6E,8E,12S,13S,14E,16R,18R,20S,22S,24R,26R,28R,29R,30S,32R)-16,18,20,22,24,26,30,32-octahydroxy-13,29-dimethyl-12-propan-2-yl-11,33-dioxabicyclo[26.4.1]tritriaconta-2,4,6,8,14-pentaen-10-one
Manual XrefsDatabases
61708635ChemSpider