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CHEBI:223057 - Tolypocladin E

ChEBI IDCHEBI:223057
ChEBI NameTolypocladin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H50ClNO6
Net Charge0
Average Mass640.261
Monoisotopic Mass639.33267
SMILESCC(C)=C[C@H]1O[C@H]2[C@H]3O[C@@]34[C@H](CC[C@@]3(C)[C@@]4(O)CC[C@H]4Cc5c(nc6cccc(C[C@H](O)C(C)(C)Cl)c56)[C@@]43C)O[C@@H]2C(C)(C)O1
InChIInChI=1S/C37H50ClNO6/c1-19(2)16-26-43-28-30(33(5,6)44-26)42-25-13-14-34(7)35(8)21(12-15-36(34,41)37(25)31(28)45-37)18-22-27-20(17-24(40)32(3,4)38)10-9-11-23(27)39-29(22)35/h9-11,16,21,24-26,28,30-31,39-41H,12-15,17-18H2,1-8H3/t21-,24-,25-,26-,28+,30-,31+,34+,35+,36-,37-/m0/s1
InChIKeyOBPUTJWEHDHPHS-LDVZNYFHSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium (ncbitaxon:29909) - PubMed (30702286)
ChEBI Ontology
Outgoing Relation(s)
Tolypocladin E (CHEBI:223057) is a organic heterotricyclic compound (CHEBI:26979)
Tolypocladin E (CHEBI:223057) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-9-[(2S)-3-chloro-2-hydroxy-3-methylbutyl]-1,2,24,24-tetramethyl-22-(2-methylprop-1-enyl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5,7,9-tetraen-16-ol