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CHEBI:216956 - Georatusin

ChEBI IDCHEBI:216956
ChEBI NameGeoratusin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52N2O5
Net Charge0
Average Mass568.799
Monoisotopic Mass568.38762
SMILESCC[C@@H](C)C[C@H](C)[C@H]1OC(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)[C@H](C)[C@]2(O)O[C@H]([C@@H](C)C[C@@H]1C)[C@@H](C)C[C@@H]2C
InChIInChI=1S/C34H52N2O5/c1-9-19(2)14-20(3)30-21(4)15-22(5)31-23(6)16-24(7)34(39,41-31)25(8)32(37)36-29(33(38)40-30)17-26-18-35-28-13-11-10-12-27(26)28/h10-13,18-25,29-31,35,39H,9,14-17H2,1-8H3,(H,36,37)/t19-,20+,21+,22+,23+,24+,25+,29-,30-,31-,34-/m1/s1
InChIKeyRUYRJDGCBYKMPZ-XIPHHJFTSA-N
Species of MetaboliteComponentSourceComments
Geomyces auratus (ncbitaxon:1398194) - PubMed (29474084)
ChEBI Ontology
Outgoing Relation(s)
Georatusin (CHEBI:216956) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,2R,5R,8R,9S,11S,12R,13S,15S)-1-hydroxy-5-(1H-indol-3-ylmethyl)-2,9,11,13,15-pentamethyl-8-[(2S,4R)-4-methylhexan-2-yl]-7,16-dioxa-4-azabicyclo[10.3.1]hexadecane-3,6-dione
Manual XrefsDatabases
78440610ChemSpider